Merge branch 'development' into vectorized-orientation-conversion
This commit is contained in:
Martin Diehl
commit
3fc616bc7d
|
|
@ -3,8 +3,8 @@
|
||||||
# always use LF, even if the files are edited on windows, they need to be compiled/used on unix
|
# always use LF, even if the files are edited on windows, they need to be compiled/used on unix
|
||||||
* text eol=lf
|
* text eol=lf
|
||||||
|
|
||||||
# Denote all files that are truly binary and should not be modified.
|
# Denote all files that are binary and should not be modified.
|
||||||
*.png binary
|
*.png binary
|
||||||
*.jpg binary
|
*.jpg binary
|
||||||
*.cae binary
|
|
||||||
*.hdf5 binary
|
*.hdf5 binary
|
||||||
|
*.pdf binary
|
||||||
|
|
|
||||||
|
|
@ -115,13 +115,6 @@ Pytest:
|
||||||
- release
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
OrientationRelationship:
|
|
||||||
stage: preprocessing
|
|
||||||
script: OrientationRelationship/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
Pre_SeedGeneration:
|
Pre_SeedGeneration:
|
||||||
stage: preprocessing
|
stage: preprocessing
|
||||||
script: PreProcessing_SeedGeneration/test.py
|
script: PreProcessing_SeedGeneration/test.py
|
||||||
|
|
@ -398,7 +391,6 @@ Marc_compileIfort:
|
||||||
stage: compileMarc
|
stage: compileMarc
|
||||||
script:
|
script:
|
||||||
- module load $IntelMarc $HDF5Marc $MSC
|
- module load $IntelMarc $HDF5Marc $MSC
|
||||||
- export DAMASK_HDF5=ON
|
|
||||||
- Marc_compileIfort/test.py
|
- Marc_compileIfort/test.py
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
|
|
@ -409,7 +401,6 @@ Hex_elastic:
|
||||||
stage: marc
|
stage: marc
|
||||||
script:
|
script:
|
||||||
- module load $IntelMarc $HDF5Marc $MSC
|
- module load $IntelMarc $HDF5Marc $MSC
|
||||||
- export DAMASK_HDF5=ON
|
|
||||||
- Hex_elastic/test.py
|
- Hex_elastic/test.py
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
|
|
@ -419,7 +410,6 @@ CubicFCC_elastic:
|
||||||
stage: marc
|
stage: marc
|
||||||
script:
|
script:
|
||||||
- module load $IntelMarc $HDF5Marc $MSC
|
- module load $IntelMarc $HDF5Marc $MSC
|
||||||
- export DAMASK_HDF5=ON
|
|
||||||
- CubicFCC_elastic/test.py
|
- CubicFCC_elastic/test.py
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
|
|
@ -429,7 +419,6 @@ CubicBCC_elastic:
|
||||||
stage: marc
|
stage: marc
|
||||||
script:
|
script:
|
||||||
- module load $IntelMarc $HDF5Marc $MSC
|
- module load $IntelMarc $HDF5Marc $MSC
|
||||||
- export DAMASK_HDF5=ON
|
|
||||||
- CubicBCC_elastic/test.py
|
- CubicBCC_elastic/test.py
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
|
|
@ -439,7 +428,6 @@ J2_plasticBehavior:
|
||||||
stage: marc
|
stage: marc
|
||||||
script:
|
script:
|
||||||
- module load $IntelMarc $HDF5Marc $MSC
|
- module load $IntelMarc $HDF5Marc $MSC
|
||||||
- export DAMASK_HDF5=ON
|
|
||||||
- J2_plasticBehavior/test.py
|
- J2_plasticBehavior/test.py
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
|
|
@ -506,18 +494,6 @@ GridSolver:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
Processing:
|
|
||||||
stage: createDocumentation
|
|
||||||
script:
|
|
||||||
- cd $DAMASKROOT/processing/pre
|
|
||||||
- $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
|
|
||||||
- cd $DAMASKROOT/processing/post
|
|
||||||
- rm vtk2ang.py DAD*.py
|
|
||||||
- $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
##################################################################################################
|
##################################################################################################
|
||||||
backupData:
|
backupData:
|
||||||
stage: saveDocumentation
|
stage: saveDocumentation
|
||||||
|
|
@ -528,7 +504,6 @@ backupData:
|
||||||
- mv $TESTROOT/performance/time.png $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
- mv $TESTROOT/performance/time.png $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
||||||
- mv $TESTROOT/performance/memory.png $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
- mv $TESTROOT/performance/memory.png $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
||||||
- mv $DAMASKROOT/PRIVATE/documenting/DAMASK_* $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
- mv $DAMASKROOT/PRIVATE/documenting/DAMASK_* $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
||||||
- mv $DAMASKROOT/processing $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
|
||||||
only:
|
only:
|
||||||
- development
|
- development
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -113,13 +113,11 @@ if (DAMASK_SOLVER STREQUAL "grid")
|
||||||
elseif (DAMASK_SOLVER STREQUAL "fem" OR DAMASK_SOLVER STREQUAL "mesh")
|
elseif (DAMASK_SOLVER STREQUAL "fem" OR DAMASK_SOLVER STREQUAL "mesh")
|
||||||
project (damask-mesh Fortran C)
|
project (damask-mesh Fortran C)
|
||||||
add_definitions (-DFEM)
|
add_definitions (-DFEM)
|
||||||
message ("Building FEM Solver\n")
|
message ("Building Mesh Solver\n")
|
||||||
else ()
|
else ()
|
||||||
message (FATAL_ERROR "Build target (DAMASK_SOLVER) is not defined")
|
message (FATAL_ERROR "Build target (DAMASK_SOLVER) is not defined")
|
||||||
endif ()
|
endif ()
|
||||||
|
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
|
||||||
# set linker commands (needs to be done after defining the project)
|
|
||||||
set (CMAKE_LINKER "${PETSC_LINKER}")
|
|
||||||
|
|
||||||
if (CMAKE_BUILD_TYPE STREQUAL "")
|
if (CMAKE_BUILD_TYPE STREQUAL "")
|
||||||
set (CMAKE_BUILD_TYPE "RELEASE")
|
set (CMAKE_BUILD_TYPE "RELEASE")
|
||||||
|
|
@ -168,9 +166,6 @@ add_definitions (-DDAMASKVERSION="${DAMASK_V}")
|
||||||
# definition of other macros
|
# definition of other macros
|
||||||
add_definitions (-DPETSc)
|
add_definitions (-DPETSc)
|
||||||
|
|
||||||
set (DAMASK_INCLUDE_FLAGS "${DAMASK_INCLUDE_FLAGS} ${PETSC_INCLUDES}")
|
|
||||||
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
|
|
||||||
|
|
||||||
if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
|
if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
|
||||||
include(Compiler-Intel)
|
include(Compiler-Intel)
|
||||||
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
|
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
|
||||||
|
|
@ -183,14 +178,14 @@ endif ()
|
||||||
|
|
||||||
|
|
||||||
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${BUILDCMD_PRE} ${OPENMP_FLAGS} ${STANDARD_CHECK} ${OPTIMIZATION_FLAGS} ${COMPILE_FLAGS} ${PRECISION_FLAGS}")
|
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${BUILDCMD_PRE} ${OPENMP_FLAGS} ${STANDARD_CHECK} ${OPTIMIZATION_FLAGS} ${COMPILE_FLAGS} ${PRECISION_FLAGS}")
|
||||||
set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${CMAKE_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}")
|
set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${PETSC_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}")
|
||||||
|
|
||||||
if (CMAKE_BUILD_TYPE STREQUAL "DEBUG")
|
if (CMAKE_BUILD_TYPE STREQUAL "DEBUG")
|
||||||
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}")
|
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}")
|
||||||
set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}")
|
set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}")
|
||||||
endif ()
|
endif ()
|
||||||
|
|
||||||
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DAMASK_INCLUDE_FLAGS} ${BUILDCMD_POST}")
|
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${PETSC_INCLUDES} ${BUILDCMD_POST}")
|
||||||
set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} <OBJECTS> -o <TARGET> <LINK_LIBRARIES> ${PETSC_EXTERNAL_LIB} ${BUILDCMD_POST}")
|
set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} <OBJECTS> -o <TARGET> <LINK_LIBRARIES> ${PETSC_EXTERNAL_LIB} ${BUILDCMD_POST}")
|
||||||
|
|
||||||
message ("Fortran Compiler Flags:\n${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}}\n")
|
message ("Fortran Compiler Flags:\n${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}}\n")
|
||||||
|
|
|
||||||
4
CONFIG
4
CONFIG
|
|
@ -1,11 +1,7 @@
|
||||||
# "set"-syntax needed only for tcsh (but works with bash and zsh)
|
# "set"-syntax needed only for tcsh (but works with bash and zsh)
|
||||||
# DAMASK_ROOT will be expanded
|
|
||||||
|
|
||||||
set DAMASK_NUM_THREADS = 4
|
set DAMASK_NUM_THREADS = 4
|
||||||
|
|
||||||
set MSC_ROOT = /opt/msc
|
set MSC_ROOT = /opt/msc
|
||||||
set MARC_VERSION = 2019
|
set MARC_VERSION = 2019
|
||||||
|
|
||||||
set ABAQUS_VERSION = 2019
|
set ABAQUS_VERSION = 2019
|
||||||
|
|
||||||
set DAMASK_HDF5 = ON
|
|
||||||
|
|
|
||||||
2
LICENSE
2
LICENSE
|
|
@ -1,4 +1,4 @@
|
||||||
Copyright 2011-19 Max-Planck-Institut für Eisenforschung GmbH
|
Copyright 2011-20 Max-Planck-Institut für Eisenforschung GmbH
|
||||||
|
|
||||||
DAMASK is free software: you can redistribute it and/or modify
|
DAMASK is free software: you can redistribute it and/or modify
|
||||||
it under the terms of the GNU General Public License as published by
|
it under the terms of the GNU General Public License as published by
|
||||||
|
|
|
||||||
2
Makefile
2
Makefile
|
|
@ -26,7 +26,7 @@ build/grid:
|
||||||
.PHONY: build/mesh
|
.PHONY: build/mesh
|
||||||
build/mesh:
|
build/mesh:
|
||||||
@mkdir -p build/mesh
|
@mkdir -p build/mesh
|
||||||
@(cd build/mesh; cmake -Wno-dev -DDAMASK_SOLVER=FEM -DCMAKE_INSTALL_PREFIX=${DAMASK_ROOT} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;)
|
@(cd build/mesh; cmake -Wno-dev -DDAMASK_SOLVER=MESH -DCMAKE_INSTALL_PREFIX=${DAMASK_ROOT} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;)
|
||||||
|
|
||||||
.PHONY: clean
|
.PHONY: clean
|
||||||
clean:
|
clean:
|
||||||
|
|
|
||||||
2
PRIVATE
2
PRIVATE
|
|
@ -1 +1 @@
|
||||||
Subproject commit 524e86c117d816e3bd873eed7663e258a6f2e139
|
Subproject commit 99b076706a186ec7deb051ae181c2d9697c799fc
|
||||||
|
|
@ -2,129 +2,129 @@
|
||||||
# GNU Compiler
|
# GNU Compiler
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
|
|
||||||
if (OPENMP)
|
if (OPENMP)
|
||||||
set (OPENMP_FLAGS "-fopenmp")
|
set (OPENMP_FLAGS "-fopenmp")
|
||||||
endif ()
|
endif ()
|
||||||
|
|
||||||
if (OPTIMIZATION STREQUAL "OFF")
|
if (OPTIMIZATION STREQUAL "OFF")
|
||||||
set (OPTIMIZATION_FLAGS "-O0" )
|
set (OPTIMIZATION_FLAGS "-O0" )
|
||||||
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
|
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
|
||||||
set (OPTIMIZATION_FLAGS "-O2")
|
set (OPTIMIZATION_FLAGS "-O2")
|
||||||
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
|
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
|
||||||
set (OPTIMIZATION_FLAGS "-O3 -ffast-math -funroll-loops -ftree-vectorize")
|
set (OPTIMIZATION_FLAGS "-O3 -ffast-math -funroll-loops -ftree-vectorize")
|
||||||
endif ()
|
endif ()
|
||||||
|
|
||||||
set (STANDARD_CHECK "-std=f2008ts -pedantic-errors" )
|
set (STANDARD_CHECK "-std=f2008ts -pedantic-errors" )
|
||||||
set (LINKER_FLAGS "${LINKER_FLAGS} -Wl")
|
set (LINKER_FLAGS "${LINKER_FLAGS} -Wl")
|
||||||
# options parsed directly to the linker
|
# options parsed directly to the linker
|
||||||
set (LINKER_FLAGS "${LINKER_FLAGS},-undefined,dynamic_lookup" )
|
set (LINKER_FLAGS "${LINKER_FLAGS},-undefined,dynamic_lookup" )
|
||||||
# ensure to link against dynamic libraries
|
# ensure to link against dynamic libraries
|
||||||
|
|
||||||
#------------------------------------------------------------------------------------------------
|
#------------------------------------------------------------------------------------------------
|
||||||
# Fine tuning compilation options
|
# Fine tuning compilation options
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -xf95-cpp-input")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -xf95-cpp-input")
|
||||||
# preprocessor
|
# preprocessor
|
||||||
|
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffree-line-length-132")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffree-line-length-132")
|
||||||
# restrict line length to the standard 132 characters (lattice.f90 require more characters)
|
# restrict line length to the standard 132 characters (lattice.f90 require more characters)
|
||||||
|
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fimplicit-none")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fimplicit-none")
|
||||||
# assume "implicit none" even if not present in source
|
# assume "implicit none" even if not present in source
|
||||||
|
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wall")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wall")
|
||||||
# sets the following Fortran options:
|
# sets the following Fortran options:
|
||||||
# -Waliasing: warn about possible aliasing of dummy arguments. Specifically, it warns if the same actual argument is associated with a dummy argument with "INTENT(IN)" and a dummy argument with "INTENT(OUT)" in a call with an explicit interface.
|
# -Waliasing: warn about possible aliasing of dummy arguments. Specifically, it warns if the same actual argument is associated with a dummy argument with "INTENT(IN)" and a dummy argument with "INTENT(OUT)" in a call with an explicit interface.
|
||||||
# -Wampersand: checks if a character expression is continued proberly by an ampersand at the end of the line and at the beginning of the new line
|
# -Wampersand: checks if a character expression is continued proberly by an ampersand at the end of the line and at the beginning of the new line
|
||||||
# -Warray-bounds: checks if array reference is out of bounds at compile time. use -fcheck-bounds to also check during runtime
|
# -Warray-bounds: checks if array reference is out of bounds at compile time. use -fcheck-bounds to also check during runtime
|
||||||
# -Wconversion: warn about implicit conversions between different type
|
# -Wconversion: warn about implicit conversions between different type
|
||||||
# -Wsurprising: warn when "suspicious" code constructs are encountered. While technically legal these usually indicate that an error has been made.
|
# -Wsurprising: warn when "suspicious" code constructs are encountered. While technically legal these usually indicate that an error has been made.
|
||||||
# -Wc-binding-type:
|
# -Wc-binding-type:
|
||||||
# -Wintrinsics-std: only standard intrisics are available, e.g. "call flush(6)" will cause an error
|
# -Wintrinsics-std: only standard intrisics are available, e.g. "call flush(6)" will cause an error
|
||||||
# -Wno-tabs: do not allow tabs in source
|
# -Wno-tabs: do not allow tabs in source
|
||||||
# -Wintrinsic-shadow: warn if a user-defined procedure or module procedure has the same name as an intrinsic
|
# -Wintrinsic-shadow: warn if a user-defined procedure or module procedure has the same name as an intrinsic
|
||||||
# -Wline-truncation:
|
# -Wline-truncation:
|
||||||
# -Wtarget-lifetime:
|
# -Wtarget-lifetime:
|
||||||
# -Wreal-q-constant: warn about real-literal-constants with 'q' exponent-letter
|
# -Wreal-q-constant: warn about real-literal-constants with 'q' exponent-letter
|
||||||
# -Wunused: a number of unused-xxx warnings
|
# -Wunused: a number of unused-xxx warnings
|
||||||
# and sets the general (non-Fortran options) options:
|
# and sets the general (non-Fortran options) options:
|
||||||
# -Waddress
|
# -Waddress
|
||||||
# -Warray-bounds (only with -O2)
|
# -Warray-bounds (only with -O2)
|
||||||
# -Wc++11-compat
|
# -Wc++11-compat
|
||||||
# -Wchar-subscripts
|
# -Wchar-subscripts
|
||||||
# -Wcomment
|
# -Wcomment
|
||||||
# -Wformat
|
# -Wformat
|
||||||
# -Wmaybe-uninitialized
|
# -Wmaybe-uninitialized
|
||||||
# -Wnonnull
|
# -Wnonnull
|
||||||
# -Wparentheses
|
# -Wparentheses
|
||||||
# -Wpointer-sign
|
# -Wpointer-sign
|
||||||
# -Wreorder
|
# -Wreorder
|
||||||
# -Wreturn-type
|
# -Wreturn-type
|
||||||
# -Wsequence-point
|
# -Wsequence-point
|
||||||
# -Wstrict-aliasing
|
# -Wstrict-aliasing
|
||||||
# -Wstrict-overflow=1
|
# -Wstrict-overflow=1
|
||||||
# -Wswitch
|
# -Wswitch
|
||||||
# -Wtrigraphs
|
# -Wtrigraphs
|
||||||
# -Wuninitialized
|
# -Wuninitialized
|
||||||
# -Wunknown-pragmas
|
# -Wunknown-pragmas
|
||||||
# -Wunused-function
|
# -Wunused-function
|
||||||
# -Wunused-label
|
# -Wunused-label
|
||||||
# -Wunused-value
|
# -Wunused-value
|
||||||
# -Wunused-variable
|
# -Wunused-variable
|
||||||
# -Wvolatile-register-var
|
# -Wvolatile-register-var
|
||||||
|
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wextra")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wextra")
|
||||||
# sets the following Fortran options:
|
# sets the following Fortran options:
|
||||||
# -Wunuses-parameter:
|
# -Wunuses-parameter:
|
||||||
# -Wcompare-reals:
|
# -Wcompare-reals:
|
||||||
# and sets the general (non-Fortran options) options:
|
# and sets the general (non-Fortran options) options:
|
||||||
# -Wclobbered
|
# -Wclobbered
|
||||||
# -Wempty-body
|
# -Wempty-body
|
||||||
# -Wignored-qualifiers
|
# -Wignored-qualifiers
|
||||||
# -Wmissing-field-initializers
|
# -Wmissing-field-initializers
|
||||||
# -Woverride-init
|
# -Woverride-init
|
||||||
# -Wsign-compare
|
# -Wsign-compare
|
||||||
# -Wtype-limits
|
# -Wtype-limits
|
||||||
# -Wuninitialized
|
# -Wuninitialized
|
||||||
# -Wunused-but-set-parameter (only with -Wunused or -Wall)
|
# -Wunused-but-set-parameter (only with -Wunused or -Wall)
|
||||||
# -Wno-globals
|
# -Wno-globals
|
||||||
|
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wcharacter-truncation")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wcharacter-truncation")
|
||||||
# warn if character expressions (strings) are truncated
|
# warn if character expressions (strings) are truncated
|
||||||
|
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wunderflow")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wunderflow")
|
||||||
# produce a warning when numerical constant expressions are encountered, which yield an UNDERFLOW during compilation
|
# produce a warning when numerical constant expressions are encountered, which yield an UNDERFLOW during compilation
|
||||||
|
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wsuggest-attribute=pure")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wsuggest-attribute=pure")
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wsuggest-attribute=noreturn")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wsuggest-attribute=noreturn")
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wconversion-extra")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wconversion-extra")
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wimplicit-procedure")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wimplicit-procedure")
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wno-unused-parameter")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wno-unused-parameter")
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffpe-summary=all")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffpe-summary=all")
|
||||||
# print summary of floating point exeptions (invalid,zero,overflow,underflow,inexact,denormal)
|
# print summary of floating point exeptions (invalid,zero,overflow,underflow,inexact,denormal)
|
||||||
|
|
||||||
# Additional options
|
# Additional options
|
||||||
# -Warray-temporarieswarnings: because we have many temporary arrays (performance issue?):
|
# -Warray-temporarieswarnings: because we have many temporary arrays (performance issue?):
|
||||||
# -Wimplicit-interface: no interfaces for lapack/MPI routines
|
# -Wimplicit-interface: no interfaces for lapack/MPI routines
|
||||||
# -Wunsafe-loop-optimizations: warn if the loop cannot be optimized due to nontrivial assumptions.
|
# -Wunsafe-loop-optimizations: warn if the loop cannot be optimized due to nontrivial assumptions.
|
||||||
|
|
||||||
#------------------------------------------------------------------------------------------------
|
#------------------------------------------------------------------------------------------------
|
||||||
# Runtime debugging
|
# Runtime debugging
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ffpe-trap=invalid,zero,overflow")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ffpe-trap=invalid,zero,overflow")
|
||||||
# stop execution if floating point exception is detected (NaN is silent)
|
# stop execution if floating point exception is detected (NaN is silent)
|
||||||
|
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
|
||||||
# Generate symbolic debugging information in the object file
|
# Generate symbolic debugging information in the object file
|
||||||
|
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fbacktrace")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fbacktrace")
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fdump-core")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fdump-core")
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fcheck=all")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fcheck=all")
|
||||||
# checks for (array-temps,bounds,do,mem,pointer,recursion)
|
# checks for (array-temps,bounds,do,mem,pointer,recursion)
|
||||||
|
|
||||||
# Additional options
|
# Additional options
|
||||||
# -ffpe-trap=precision,denormal,underflow
|
# -ffpe-trap=precision,denormal,underflow
|
||||||
#------------------------------------------------------------------------------------------------
|
#------------------------------------------------------------------------------------------------
|
||||||
# precision settings
|
# precision settings
|
||||||
set (PRECISION_FLAGS "${PRECISION_FLAGS} -fdefault-real-8")
|
set (PRECISION_FLAGS "${PRECISION_FLAGS} -fdefault-real-8")
|
||||||
# set precision to 8 bytes for standard real (=8 for pReal). Will set size of double to 16 bytes as long as -fdefault-double-8 is not set
|
# set precision to 8 bytes for standard real (=8 for pReal). Will set size of double to 16 bytes as long as -fdefault-double-8 is not set
|
||||||
set (PRECISION_FLAGS "${PRECISION_FLAGS} -fdefault-double-8")
|
set (PRECISION_FLAGS "${PRECISION_FLAGS} -fdefault-double-8")
|
||||||
# set precision to 8 bytes for double real, would be 16 bytes if -fdefault-real-8 is used
|
# set precision to 8 bytes for double real, would be 16 bytes if -fdefault-real-8 is used
|
||||||
|
|
|
||||||
|
|
@ -1,116 +1,116 @@
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
# Intel Compiler
|
# Intel Compiler
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
if (OPENMP)
|
if (OPENMP)
|
||||||
set (OPENMP_FLAGS "-qopenmp -parallel")
|
set (OPENMP_FLAGS "-qopenmp -parallel")
|
||||||
endif ()
|
endif ()
|
||||||
|
|
||||||
if (OPTIMIZATION STREQUAL "OFF")
|
if (OPTIMIZATION STREQUAL "OFF")
|
||||||
set (OPTIMIZATION_FLAGS "-O0 -no-ip")
|
set (OPTIMIZATION_FLAGS "-O0 -no-ip")
|
||||||
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
|
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
|
||||||
set (OPTIMIZATION_FLAGS "-O2")
|
set (OPTIMIZATION_FLAGS "-O2")
|
||||||
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
|
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
|
||||||
set (OPTIMIZATION_FLAGS "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost")
|
set (OPTIMIZATION_FLAGS "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost")
|
||||||
# -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost"
|
# -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost"
|
||||||
endif ()
|
endif ()
|
||||||
|
|
||||||
# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
|
# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
|
||||||
# (PETSc, HDF5) are not compiled with this option (https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/62172)
|
# (PETSc, HDF5) are not compiled with this option (https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/62172)
|
||||||
set (STANDARD_CHECK "-stand f15 -standard-semantics -assume nostd_mod_proc_name")
|
set (STANDARD_CHECK "-stand f15 -standard-semantics -assume nostd_mod_proc_name")
|
||||||
set (LINKER_FLAGS "${LINKER_FLAGS} -shared-intel")
|
set (LINKER_FLAGS "${LINKER_FLAGS} -shared-intel")
|
||||||
# Link against shared Intel libraries instead of static ones
|
# Link against shared Intel libraries instead of static ones
|
||||||
|
|
||||||
#------------------------------------------------------------------------------------------------
|
#------------------------------------------------------------------------------------------------
|
||||||
# Fine tuning compilation options
|
# Fine tuning compilation options
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp")
|
||||||
# preprocessor
|
# preprocessor
|
||||||
|
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ftz")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ftz")
|
||||||
# flush underflow to zero, automatically set if -O[1,2,3]
|
# flush underflow to zero, automatically set if -O[1,2,3]
|
||||||
|
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
|
||||||
# disables warnings ...
|
# disables warnings ...
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268")
|
||||||
# ... the text exceeds right hand column allowed on the line (we have only comments there)
|
# ... the text exceeds right hand column allowed on the line (we have only comments there)
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS},7624")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS},7624")
|
||||||
# ... about deprecated forall (has nice syntax and most likely a performance advantage)
|
# ... about deprecated forall (has nice syntax and most likely a performance advantage)
|
||||||
|
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -warn")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -warn")
|
||||||
# enables warnings ...
|
# enables warnings ...
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} declarations")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} declarations")
|
||||||
# ... any undeclared names (alternative name: -implicitnone)
|
# ... any undeclared names (alternative name: -implicitnone)
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS},general")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS},general")
|
||||||
# ... warning messages and informational messages are issued by the compiler
|
# ... warning messages and informational messages are issued by the compiler
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS},usage")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS},usage")
|
||||||
# ... questionable programming practices
|
# ... questionable programming practices
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS},interfaces")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS},interfaces")
|
||||||
# ... checks the interfaces of all SUBROUTINEs called and FUNCTIONs invoked in your compilation against an external set of interface blocks
|
# ... checks the interfaces of all SUBROUTINEs called and FUNCTIONs invoked in your compilation against an external set of interface blocks
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS},ignore_loc")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS},ignore_loc")
|
||||||
# ... %LOC is stripped from an actual argument
|
# ... %LOC is stripped from an actual argument
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS},alignments")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS},alignments")
|
||||||
# ... data that is not naturally aligned
|
# ... data that is not naturally aligned
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS},unused")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS},unused")
|
||||||
# ... declared variables that are never used
|
# ... declared variables that are never used
|
||||||
|
|
||||||
# Additional options
|
# Additional options
|
||||||
# -warn: enables warnings, where
|
# -warn: enables warnings, where
|
||||||
# truncated_source: Determines whether warnings occur when source exceeds the maximum column width in fixed-format files.
|
# truncated_source: Determines whether warnings occur when source exceeds the maximum column width in fixed-format files.
|
||||||
# (too many warnings because we have comments beyond character 132)
|
# (too many warnings because we have comments beyond character 132)
|
||||||
# uncalled: Determines whether warnings occur when a statement function is never called
|
# uncalled: Determines whether warnings occur when a statement function is never called
|
||||||
# all:
|
# all:
|
||||||
# -name as_is: case sensitive Fortran!
|
# -name as_is: case sensitive Fortran!
|
||||||
|
|
||||||
#------------------------------------------------------------------------------------------------
|
#------------------------------------------------------------------------------------------------
|
||||||
# Runtime debugging
|
# Runtime debugging
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
|
||||||
# Generate symbolic debugging information in the object file
|
# Generate symbolic debugging information in the object file
|
||||||
|
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -traceback")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -traceback")
|
||||||
# Generate extra information in the object file to provide source file traceback information when a severe error occurs at run time
|
# Generate extra information in the object file to provide source file traceback information when a severe error occurs at run time
|
||||||
|
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -gen-interfaces")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -gen-interfaces")
|
||||||
# Generate an interface block for each routine. http://software.intel.com/en-us/blogs/2012/01/05/doctor-fortran-gets-explicit-again/
|
# Generate an interface block for each routine. http://software.intel.com/en-us/blogs/2012/01/05/doctor-fortran-gets-explicit-again/
|
||||||
|
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-stack-check")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-stack-check")
|
||||||
# Generate extra code after every function call to ensure that the floating-point (FP) stack is in the expected state
|
# Generate extra code after every function call to ensure that the floating-point (FP) stack is in the expected state
|
||||||
|
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-model strict")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-model strict")
|
||||||
# Trap uninitalized variables
|
# Trap uninitalized variables
|
||||||
|
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -check" )
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -check" )
|
||||||
# Checks at runtime ...
|
# Checks at runtime ...
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} bounds")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} bounds")
|
||||||
# ... if an array index is too small (<1) or too large!
|
# ... if an array index is too small (<1) or too large!
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS},format")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS},format")
|
||||||
# ... for the data type of an item being formatted for output.
|
# ... for the data type of an item being formatted for output.
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS},output_conversion")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS},output_conversion")
|
||||||
# ... for the fit of data items within a designated format descriptor field.
|
# ... for the fit of data items within a designated format descriptor field.
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS},pointers")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS},pointers")
|
||||||
# ... for certain disassociated or uninitialized pointers or unallocated allocatable objects.
|
# ... for certain disassociated or uninitialized pointers or unallocated allocatable objects.
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS},uninit")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS},uninit")
|
||||||
# ... for uninitialized variables.
|
# ... for uninitialized variables.
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv")
|
||||||
# ... initializes stack local variables to an unusual value to aid error detection
|
# ... initializes stack local variables to an unusual value to aid error detection
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
|
||||||
# ... capture all floating-point exceptions, sets -ftz automatically
|
# ... capture all floating-point exceptions, sets -ftz automatically
|
||||||
|
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn")
|
||||||
# enables warnings ...
|
# enables warnings ...
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} errors")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} errors")
|
||||||
# ... warnings are changed to errors
|
# ... warnings are changed to errors
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS},stderrors")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS},stderrors")
|
||||||
# ... warnings about Fortran standard violations are changed to errors
|
# ... warnings about Fortran standard violations are changed to errors
|
||||||
|
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all")
|
||||||
# generate debug information for parameters
|
# generate debug information for parameters
|
||||||
|
|
||||||
# Additional options
|
# Additional options
|
||||||
# -heap-arrays: Should not be done for OpenMP, but set "ulimit -s unlimited" on shell. Probably it helps also to unlimit other limits
|
# -heap-arrays: Should not be done for OpenMP, but set "ulimit -s unlimited" on shell. Probably it helps also to unlimit other limits
|
||||||
# -check: Checks at runtime, where
|
# -check: Checks at runtime, where
|
||||||
# arg_temp_created: will cause a lot of warnings because we create a bunch of temporary arrays (performance?)
|
# arg_temp_created: will cause a lot of warnings because we create a bunch of temporary arrays (performance?)
|
||||||
# stack:
|
# stack:
|
||||||
|
|
||||||
#------------------------------------------------------------------------------------------------
|
#------------------------------------------------------------------------------------------------
|
||||||
# precision settings
|
# precision settings
|
||||||
set (PRECISION_FLAGS "${PRECISION_FLAGS} -real-size 64")
|
set (PRECISION_FLAGS "${PRECISION_FLAGS} -real-size 64")
|
||||||
# set precision for standard real to 32 | 64 | 128 (= 4 | 8 | 16 bytes, type pReal is always 8 bytes)
|
# set precision for standard real to 32 | 64 | 128 (= 4 | 8 | 16 bytes, type pReal is always 8 bytes)
|
||||||
|
|
|
||||||
|
|
@ -1,25 +1,24 @@
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
# PGI Compiler
|
# PGI Compiler
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "PGI")
|
|
||||||
|
|
||||||
if (OPTIMIZATION STREQUAL "OFF")
|
if (OPTIMIZATION STREQUAL "OFF")
|
||||||
set (OPTIMIZATION_FLAGS "-O0" )
|
set (OPTIMIZATION_FLAGS "-O0" )
|
||||||
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
|
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
|
||||||
set (OPTIMIZATION_FLAGS "-O2")
|
set (OPTIMIZATION_FLAGS "-O2")
|
||||||
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
|
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
|
||||||
set (OPTIMIZATION_FLAGS "-O3")
|
set (OPTIMIZATION_FLAGS "-O3")
|
||||||
endif ()
|
endif ()
|
||||||
|
|
||||||
|
|
||||||
#------------------------------------------------------------------------------------------------
|
#------------------------------------------------------------------------------------------------
|
||||||
# Fine tuning compilation options
|
# Fine tuning compilation options
|
||||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Mpreprocess")
|
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Mpreprocess")
|
||||||
# preprocessor
|
# preprocessor
|
||||||
|
|
||||||
set (STANDARD_CHECK "-Mallocatable=03")
|
set (STANDARD_CHECK "-Mallocatable=03")
|
||||||
|
|
||||||
#------------------------------------------------------------------------------------------------
|
#------------------------------------------------------------------------------------------------
|
||||||
# Runtime debugging
|
# Runtime debugging
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
|
||||||
# Includes debugging information in the object module; sets the optimization level to zero unless a -O option is present on the command line
|
# Includes debugging information in the object module; sets the optimization level to zero unless a -O option is present on the command line
|
||||||
|
|
|
||||||
|
|
@ -7,12 +7,6 @@ set DAMASK_ROOT=`python -c "import os,sys; print(os.path.realpath(os.path.expand
|
||||||
|
|
||||||
source $DAMASK_ROOT/CONFIG
|
source $DAMASK_ROOT/CONFIG
|
||||||
|
|
||||||
# add BRANCH if DAMASK_ROOT is a git repository
|
|
||||||
cd $DAMASK_ROOT >/dev/null
|
|
||||||
set BRANCH = `git branch 2>/dev/null| grep -E '^\* ')`
|
|
||||||
cd - >/dev/null
|
|
||||||
|
|
||||||
# if DAMASK_BIN is present
|
|
||||||
set path = ($DAMASK_ROOT/bin $path)
|
set path = ($DAMASK_ROOT/bin $path)
|
||||||
|
|
||||||
set SOLVER=`which DAMASK_spectral`
|
set SOLVER=`which DAMASK_spectral`
|
||||||
|
|
@ -21,20 +15,12 @@ if ( "x$DAMASK_NUM_THREADS" == "x" ) then
|
||||||
set DAMASK_NUM_THREADS=1
|
set DAMASK_NUM_THREADS=1
|
||||||
endif
|
endif
|
||||||
|
|
||||||
# currently, there is no information that unlimited causes problems
|
# currently, there is no information that unlimited stack size causes problems
|
||||||
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
|
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
|
||||||
# more info https://jblevins.org/log/segfault
|
# more info https://jblevins.org/log/segfault
|
||||||
# https://stackoverflow.com/questions/79923/what-and-where-are-the-stack-and-heap
|
# https://stackoverflow.com/questions/79923/what-and-where-are-the-stack-and-heap
|
||||||
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
||||||
limit datasize unlimited # maximum heap size (kB)
|
|
||||||
limit stacksize unlimited # maximum stack size (kB)
|
limit stacksize unlimited # maximum stack size (kB)
|
||||||
endif
|
|
||||||
if ( `limit | grep memoryuse` != "" ) then
|
|
||||||
limit memoryuse unlimited # maximum physical memory size
|
|
||||||
endif
|
|
||||||
if ( `limit | grep vmemoryuse` != "" ) then
|
|
||||||
limit vmemoryuse unlimited # maximum virtual memory size
|
|
||||||
endif
|
|
||||||
|
|
||||||
# disable output in case of scp
|
# disable output in case of scp
|
||||||
if ( $?prompt ) then
|
if ( $?prompt ) then
|
||||||
|
|
@ -44,8 +30,8 @@ if ( $?prompt ) then
|
||||||
echo https://damask.mpie.de
|
echo https://damask.mpie.de
|
||||||
echo
|
echo
|
||||||
echo Using environment with ...
|
echo Using environment with ...
|
||||||
echo "DAMASK $DAMASK_ROOT $BRANCH"
|
echo "DAMASK $DAMASK_ROOT"
|
||||||
echo "Spectral Solver $SOLVER"
|
echo "Grid Solver $SOLVER"
|
||||||
echo "Post Processing $PROCESSING"
|
echo "Post Processing $PROCESSING"
|
||||||
if ( $?PETSC_DIR) then
|
if ( $?PETSC_DIR) then
|
||||||
echo "PETSc location $PETSC_DIR"
|
echo "PETSc location $PETSC_DIR"
|
||||||
|
|
|
||||||
|
|
@ -43,15 +43,12 @@ PROCESSING=$(type -p postResults || true 2>/dev/null)
|
||||||
|
|
||||||
[ "x$DAMASK_NUM_THREADS" == "x" ] && DAMASK_NUM_THREADS=1
|
[ "x$DAMASK_NUM_THREADS" == "x" ] && DAMASK_NUM_THREADS=1
|
||||||
|
|
||||||
# currently, there is no information that unlimited causes problems
|
# currently, there is no information that unlimited stack size causes problems
|
||||||
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
|
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
|
||||||
# more info https://jblevins.org/log/segfault
|
# more info https://jblevins.org/log/segfault
|
||||||
# https://stackoverflow.com/questions/79923/what-and-where-are-the-stack-and-heap
|
# https://stackoverflow.com/questions/79923/what-and-where-are-the-stack-and-heap
|
||||||
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
||||||
ulimit -d unlimited 2>/dev/null # maximum heap size (kB)
|
|
||||||
ulimit -s unlimited 2>/dev/null # maximum stack size (kB)
|
ulimit -s unlimited 2>/dev/null # maximum stack size (kB)
|
||||||
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
|
|
||||||
ulimit -m unlimited 2>/dev/null # maximum physical memory size
|
|
||||||
|
|
||||||
# disable output in case of scp
|
# disable output in case of scp
|
||||||
if [ ! -z "$PS1" ]; then
|
if [ ! -z "$PS1" ]; then
|
||||||
|
|
@ -62,7 +59,7 @@ if [ ! -z "$PS1" ]; then
|
||||||
echo
|
echo
|
||||||
echo Using environment with ...
|
echo Using environment with ...
|
||||||
echo "DAMASK $DAMASK_ROOT $BRANCH"
|
echo "DAMASK $DAMASK_ROOT $BRANCH"
|
||||||
echo "Spectral Solver $SOLVER"
|
echo "Grid Solver $SOLVER"
|
||||||
echo "Post Processing $PROCESSING"
|
echo "Post Processing $PROCESSING"
|
||||||
if [ "x$PETSC_DIR" != "x" ]; then
|
if [ "x$PETSC_DIR" != "x" ]; then
|
||||||
echo -n "PETSc location "
|
echo -n "PETSc location "
|
||||||
|
|
@ -96,7 +93,7 @@ fi
|
||||||
export DAMASK_NUM_THREADS
|
export DAMASK_NUM_THREADS
|
||||||
export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH
|
export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH
|
||||||
|
|
||||||
for var in BASE STAT SOLVER PROCESSING FREE DAMASK_BIN BRANCH; do
|
for var in BASE STAT SOLVER PROCESSING BRANCH; do
|
||||||
unset "${var}"
|
unset "${var}"
|
||||||
done
|
done
|
||||||
for var in DAMASK MSC; do
|
for var in DAMASK MSC; do
|
||||||
|
|
|
||||||
|
|
@ -24,7 +24,6 @@ unset -f set
|
||||||
# add BRANCH if DAMASK_ROOT is a git repository
|
# add BRANCH if DAMASK_ROOT is a git repository
|
||||||
cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null
|
cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null
|
||||||
|
|
||||||
# add DAMASK_BIN if present
|
|
||||||
PATH=${DAMASK_ROOT}/bin:$PATH
|
PATH=${DAMASK_ROOT}/bin:$PATH
|
||||||
|
|
||||||
SOLVER=$(which DAMASK_spectral || true 2>/dev/null)
|
SOLVER=$(which DAMASK_spectral || true 2>/dev/null)
|
||||||
|
|
@ -35,15 +34,12 @@ PROCESSING=$(which postResults || true 2>/dev/null)
|
||||||
|
|
||||||
[[ "x$DAMASK_NUM_THREADS" == "x" ]] && DAMASK_NUM_THREADS=1
|
[[ "x$DAMASK_NUM_THREADS" == "x" ]] && DAMASK_NUM_THREADS=1
|
||||||
|
|
||||||
# currently, there is no information that unlimited causes problems
|
# currently, there is no information that unlimited stack size causes problems
|
||||||
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
|
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
|
||||||
# more info https://jblevins.org/log/segfault
|
# more info https://jblevins.org/log/segfault
|
||||||
# https://stackoverflow.com/questions/79923/what-and-where-are-the-stack-and-heap
|
# https://stackoverflow.com/questions/79923/what-and-where-are-the-stack-and-heap
|
||||||
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
||||||
ulimit -d unlimited 2>/dev/null # maximum heap size (kB)
|
|
||||||
ulimit -s unlimited 2>/dev/null # maximum stack size (kB)
|
ulimit -s unlimited 2>/dev/null # maximum stack size (kB)
|
||||||
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
|
|
||||||
ulimit -m unlimited 2>/dev/null # maximum physical memory size
|
|
||||||
|
|
||||||
# disable output in case of scp
|
# disable output in case of scp
|
||||||
if [ ! -z "$PS1" ]; then
|
if [ ! -z "$PS1" ]; then
|
||||||
|
|
@ -54,7 +50,7 @@ if [ ! -z "$PS1" ]; then
|
||||||
echo
|
echo
|
||||||
echo "Using environment with ..."
|
echo "Using environment with ..."
|
||||||
echo "DAMASK $DAMASK_ROOT $BRANCH"
|
echo "DAMASK $DAMASK_ROOT $BRANCH"
|
||||||
echo "Spectral Solver $SOLVER"
|
echo "Grid Solver $SOLVER"
|
||||||
echo "Post Processing $PROCESSING"
|
echo "Post Processing $PROCESSING"
|
||||||
if [ "x$PETSC_DIR" != "x" ]; then
|
if [ "x$PETSC_DIR" != "x" ]; then
|
||||||
echo -n "PETSc location "
|
echo -n "PETSc location "
|
||||||
|
|
@ -90,7 +86,7 @@ fi
|
||||||
export DAMASK_NUM_THREADS
|
export DAMASK_NUM_THREADS
|
||||||
export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH
|
export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH
|
||||||
|
|
||||||
for var in BASE STAT SOLVER PROCESSING FREE DAMASK_BIN BRANCH; do
|
for var in SOLVER PROCESSING BRANCH; do
|
||||||
unset "${var}"
|
unset "${var}"
|
||||||
done
|
done
|
||||||
for var in DAMASK MSC; do
|
for var in DAMASK MSC; do
|
||||||
|
|
|
||||||
|
|
@ -1,3 +1,3 @@
|
||||||
thermal conduction
|
thermal conduction
|
||||||
initialT 300.0
|
t0 270.0
|
||||||
(output) temperature
|
(output) temperature
|
||||||
|
|
|
||||||
|
|
@ -1,2 +1,2 @@
|
||||||
[001]
|
[001]
|
||||||
(gauss) phi1 0.000 Phi 0.000 phi2 0.000 scatter 0.000 fraction 1.000
|
(gauss) phi1 0.000 Phi 0.000 phi2 0.000
|
||||||
|
|
|
||||||
|
|
@ -1,2 +1,2 @@
|
||||||
[101]
|
[101]
|
||||||
(gauss) phi1 0.000 Phi 45.000 phi2 90.000 scatter 0.000 fraction 1.000
|
(gauss) phi1 0.000 Phi 45.000 phi2 90.000
|
||||||
|
|
|
||||||
|
|
@ -1,2 +1,2 @@
|
||||||
[111]
|
[111]
|
||||||
(gauss) phi1 0.000 Phi 54.7356 phi2 45.000 scatter 0.000 fraction 1.000
|
(gauss) phi1 0.000 Phi 54.7356 phi2 45.000
|
||||||
|
|
|
||||||
|
|
@ -1,2 +1,2 @@
|
||||||
[123]
|
[123]
|
||||||
(gauss) phi1 209.805 Phi 29.206 phi2 63.435 scatter 0.000 fraction 1.000
|
(gauss) phi1 209.805 Phi 29.206 phi2 63.435
|
||||||
|
|
|
||||||
|
|
@ -4,14 +4,6 @@
|
||||||
[SX]
|
[SX]
|
||||||
mech none
|
mech none
|
||||||
|
|
||||||
#-------------------#
|
|
||||||
<crystallite>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
[aLittleSomething]
|
|
||||||
(output) f
|
|
||||||
(output) p
|
|
||||||
|
|
||||||
#-------------------#
|
#-------------------#
|
||||||
<phase>
|
<phase>
|
||||||
#-------------------#
|
#-------------------#
|
||||||
|
|
@ -50,408 +42,212 @@ interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||||
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||||
atol_resistance 1
|
atol_resistance 1
|
||||||
|
|
||||||
|
(output) f
|
||||||
|
(output) p
|
||||||
|
|
||||||
#-------------------#
|
#-------------------#
|
||||||
<microstructure>
|
<microstructure>
|
||||||
#-------------------#
|
#-------------------#
|
||||||
|
|
||||||
[Grain001]
|
[Grain001]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 1 fraction 1.0
|
(constituent) phase 1 texture 1 fraction 1.0
|
||||||
|
|
||||||
[Grain002]
|
[Grain002]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 2 fraction 1.0
|
(constituent) phase 1 texture 2 fraction 1.0
|
||||||
|
|
||||||
[Grain003]
|
[Grain003]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 3 fraction 1.0
|
(constituent) phase 1 texture 3 fraction 1.0
|
||||||
|
|
||||||
[Grain004]
|
[Grain004]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 4 fraction 1.0
|
(constituent) phase 1 texture 4 fraction 1.0
|
||||||
|
|
||||||
[Grain005]
|
[Grain005]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 5 fraction 1.0
|
(constituent) phase 1 texture 5 fraction 1.0
|
||||||
|
|
||||||
[Grain006]
|
[Grain006]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 6 fraction 1.0
|
(constituent) phase 1 texture 6 fraction 1.0
|
||||||
|
|
||||||
[Grain007]
|
[Grain007]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 7 fraction 1.0
|
(constituent) phase 1 texture 7 fraction 1.0
|
||||||
|
|
||||||
[Grain008]
|
[Grain008]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 8 fraction 1.0
|
(constituent) phase 1 texture 8 fraction 1.0
|
||||||
|
|
||||||
[Grain009]
|
[Grain009]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 9 fraction 1.0
|
(constituent) phase 1 texture 9 fraction 1.0
|
||||||
|
|
||||||
[Grain010]
|
[Grain010]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 10 fraction 1.0
|
(constituent) phase 1 texture 10 fraction 1.0
|
||||||
|
|
||||||
[Grain011]
|
[Grain011]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 11 fraction 1.0
|
(constituent) phase 1 texture 11 fraction 1.0
|
||||||
|
|
||||||
[Grain012]
|
[Grain012]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 12 fraction 1.0
|
(constituent) phase 1 texture 12 fraction 1.0
|
||||||
|
|
||||||
[Grain013]
|
[Grain013]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 13 fraction 1.0
|
(constituent) phase 1 texture 13 fraction 1.0
|
||||||
|
|
||||||
[Grain014]
|
[Grain014]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 14 fraction 1.0
|
(constituent) phase 1 texture 14 fraction 1.0
|
||||||
|
|
||||||
[Grain015]
|
[Grain015]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 15 fraction 1.0
|
(constituent) phase 1 texture 15 fraction 1.0
|
||||||
|
|
||||||
[Grain016]
|
[Grain016]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 16 fraction 1.0
|
(constituent) phase 1 texture 16 fraction 1.0
|
||||||
|
|
||||||
[Grain017]
|
[Grain017]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 17 fraction 1.0
|
(constituent) phase 1 texture 17 fraction 1.0
|
||||||
|
|
||||||
[Grain018]
|
[Grain018]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 18 fraction 1.0
|
(constituent) phase 1 texture 18 fraction 1.0
|
||||||
|
|
||||||
[Grain019]
|
[Grain019]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 19 fraction 1.0
|
(constituent) phase 1 texture 19 fraction 1.0
|
||||||
|
|
||||||
[Grain020]
|
[Grain020]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 20 fraction 1.0
|
(constituent) phase 1 texture 20 fraction 1.0
|
||||||
|
|
||||||
[Grain021]
|
[Grain021]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 21 fraction 1.0
|
(constituent) phase 1 texture 21 fraction 1.0
|
||||||
|
|
||||||
[Grain022]
|
[Grain022]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 22 fraction 1.0
|
(constituent) phase 1 texture 22 fraction 1.0
|
||||||
|
|
||||||
[Grain023]
|
[Grain023]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 23 fraction 1.0
|
(constituent) phase 1 texture 23 fraction 1.0
|
||||||
|
|
||||||
[Grain024]
|
[Grain024]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 24 fraction 1.0
|
(constituent) phase 1 texture 24 fraction 1.0
|
||||||
|
|
||||||
[Grain025]
|
[Grain025]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 25 fraction 1.0
|
(constituent) phase 1 texture 25 fraction 1.0
|
||||||
|
|
||||||
[Grain026]
|
[Grain026]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 26 fraction 1.0
|
(constituent) phase 1 texture 26 fraction 1.0
|
||||||
|
|
||||||
[Grain027]
|
[Grain027]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 27 fraction 1.0
|
(constituent) phase 1 texture 27 fraction 1.0
|
||||||
|
|
||||||
[Grain028]
|
[Grain028]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 28 fraction 1.0
|
(constituent) phase 1 texture 28 fraction 1.0
|
||||||
|
|
||||||
[Grain029]
|
[Grain029]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 29 fraction 1.0
|
(constituent) phase 1 texture 29 fraction 1.0
|
||||||
|
|
||||||
[Grain030]
|
[Grain030]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 30 fraction 1.0
|
(constituent) phase 1 texture 30 fraction 1.0
|
||||||
|
|
||||||
[Grain031]
|
[Grain031]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 31 fraction 1.0
|
(constituent) phase 1 texture 31 fraction 1.0
|
||||||
|
|
||||||
[Grain032]
|
[Grain032]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 32 fraction 1.0
|
(constituent) phase 1 texture 32 fraction 1.0
|
||||||
|
|
||||||
[Grain033]
|
[Grain033]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 33 fraction 1.0
|
(constituent) phase 1 texture 33 fraction 1.0
|
||||||
|
|
||||||
[Grain034]
|
[Grain034]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 34 fraction 1.0
|
(constituent) phase 1 texture 34 fraction 1.0
|
||||||
|
|
||||||
[Grain035]
|
[Grain035]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 35 fraction 1.0
|
(constituent) phase 1 texture 35 fraction 1.0
|
||||||
|
|
||||||
[Grain036]
|
[Grain036]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 36 fraction 1.0
|
(constituent) phase 1 texture 36 fraction 1.0
|
||||||
|
|
||||||
[Grain037]
|
[Grain037]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 37 fraction 1.0
|
(constituent) phase 1 texture 37 fraction 1.0
|
||||||
|
|
||||||
[Grain038]
|
[Grain038]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 38 fraction 1.0
|
(constituent) phase 1 texture 38 fraction 1.0
|
||||||
|
|
||||||
[Grain039]
|
[Grain039]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 39 fraction 1.0
|
(constituent) phase 1 texture 39 fraction 1.0
|
||||||
|
|
||||||
[Grain040]
|
[Grain040]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 40 fraction 1.0
|
(constituent) phase 1 texture 40 fraction 1.0
|
||||||
|
|
||||||
[Grain041]
|
[Grain041]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 41 fraction 1.0
|
(constituent) phase 1 texture 41 fraction 1.0
|
||||||
|
|
||||||
[Grain042]
|
[Grain042]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 42 fraction 1.0
|
(constituent) phase 1 texture 42 fraction 1.0
|
||||||
|
|
||||||
[Grain043]
|
[Grain043]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 43 fraction 1.0
|
(constituent) phase 1 texture 43 fraction 1.0
|
||||||
|
|
||||||
[Grain044]
|
[Grain044]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 44 fraction 1.0
|
(constituent) phase 1 texture 44 fraction 1.0
|
||||||
|
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[Grain053]
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[Grain054]
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[Grain056]
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[Grain057]
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[Grain058]
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[Grain061]
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[Grain062]
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[Grain063]
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[Grain063]
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[Grain064]
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[Grain065]
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[Grain066]
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[Grain067]
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[Grain068]
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[Grain069]
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[Grain069]
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[Grain070]
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[Grain071]
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[Grain072]
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[Grain073]
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[Grain074]
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[Grain075]
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[Grain076]
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[Grain077]
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[Grain078]
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[Grain079]
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[Grain079]
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[Grain080]
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[Grain080]
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[Grain081]
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[Grain082]
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[Grain083]
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[Grain084]
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[Grain085]
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[Grain086]
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[Grain087]
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[Grain088]
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[Grain088]
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[Grain089]
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[Grain090]
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[Grain091]
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[Grain092]
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[Grain092]
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[Grain093]
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[Grain094]
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[Grain095]
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[Grain096]
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[Grain097]
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[Grain098]
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[Grain098]
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[Grain099]
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[Grain099]
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[Grain100]
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[Grain100]
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crystallite 1
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#-------------------#
|
#-------------------#
|
||||||
|
|
@ -459,301 +255,202 @@ crystallite 1
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#-------------------#
|
#-------------------#
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||||||
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[Grain001]
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[Grain002]
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[Grain003]
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||||||
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[Grain004]
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||||||
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[Grain005]
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[Grain005]
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||||||
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[Grain006]
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||||||
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[Grain007]
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[Grain007]
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(gauss) phi1 161.137 Phi 78.0062 phi2 111.948
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||||||
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[Grain008]
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[Grain008]
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(gauss) phi1 169.792 Phi 89.5333 phi2 159.265
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||||||
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[Grain009]
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[Grain009]
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(gauss) phi1 264.847 Phi 130.291 phi2 180.604
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||||||
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[Grain010]
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[Grain010]
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||||||
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||||||
[Grain011]
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[Grain011]
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||||||
|
|
||||||
[Grain012]
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[Grain012]
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||||||
|
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||||||
[Grain013]
|
[Grain013]
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(gauss) phi1 129.9 Phi 139.011 phi2 238.735
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||||||
|
|
||||||
[Grain014]
|
[Grain014]
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(gauss) phi1 221.405 Phi 129.743 phi2 99.6471
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||||||
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[Grain015]
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[Grain015]
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(gauss) phi1 241.783 Phi 98.3729 phi2 260.615
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||||||
|
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[Grain016]
|
[Grain016]
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(gauss) phi1 72.5592 Phi 122.403 phi2 165.046
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||||||
|
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||||||
[Grain017]
|
[Grain017]
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(gauss) phi1 64.8818 Phi 82.6384 phi2 236.305
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||||||
|
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||||||
[Grain018]
|
[Grain018]
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(gauss) phi1 201.096 Phi 65.9312 phi2 330.745
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||||||
|
|
||||||
[Grain019]
|
[Grain019]
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(gauss) phi1 192.994 Phi 81.9371 phi2 239.326
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||||||
|
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[Grain020]
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[Grain020]
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(gauss) phi1 125.335 Phi 90.4527 phi2 207.982
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||||||
|
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||||||
[Grain021]
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[Grain021]
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(gauss) phi1 55.8848 Phi 26.4455 phi2 100.921 scatter 0.0 fraction 1.0
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(gauss) phi1 55.8848 Phi 26.4455 phi2 100.921
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||||||
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[Grain022]
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[Grain022]
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(gauss) phi1 40.722 Phi 95.6415 phi2 269.174 scatter 0.0 fraction 1.0
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(gauss) phi1 40.722 Phi 95.6415 phi2 269.174
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||||||
|
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[Grain023]
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[Grain023]
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(gauss) phi1 250.487 Phi 69.6035 phi2 201.732
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||||||
|
|
||||||
[Grain024]
|
[Grain024]
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(gauss) phi1 204.199 Phi 84.983 phi2 20.3469 scatter 0.0 fraction 1.0
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(gauss) phi1 204.199 Phi 84.983 phi2 20.3469
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||||||
|
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[Grain025]
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[Grain025]
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(gauss) phi1 12.7416 Phi 128.589 phi2 271.553 scatter 0.0 fraction 1.0
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(gauss) phi1 12.7416 Phi 128.589 phi2 271.553
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||||||
|
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[Grain026]
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[Grain026]
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(gauss) phi1 299.704 Phi 85.3961 phi2 217.359 scatter 0.0 fraction 1.0
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(gauss) phi1 299.704 Phi 85.3961 phi2 217.359
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||||||
|
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[Grain027]
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[Grain027]
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(gauss) phi1 48.8232 Phi 83.6209 phi2 200.361 scatter 0.0 fraction 1.0
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(gauss) phi1 48.8232 Phi 83.6209 phi2 200.361
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||||||
|
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||||||
[Grain028]
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[Grain028]
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(gauss) phi1 336.395 Phi 97.3059 phi2 187.071 scatter 0.0 fraction 1.0
|
(gauss) phi1 336.395 Phi 97.3059 phi2 187.071
|
||||||
|
|
||||||
[Grain029]
|
[Grain029]
|
||||||
(gauss) phi1 274.354 Phi 78.2424 phi2 320.308 scatter 0.0 fraction 1.0
|
(gauss) phi1 274.354 Phi 78.2424 phi2 320.308
|
||||||
|
|
||||||
[Grain030]
|
[Grain030]
|
||||||
(gauss) phi1 320.776 Phi 149.72 phi2 163.862 scatter 0.0 fraction 1.0
|
(gauss) phi1 320.776 Phi 149.72 phi2 163.862
|
||||||
|
|
||||||
[Grain031]
|
[Grain031]
|
||||||
(gauss) phi1 179.549 Phi 106.548 phi2 345.498 scatter 0.0 fraction 1.0
|
(gauss) phi1 179.549 Phi 106.548 phi2 345.498
|
||||||
|
|
||||||
[Grain032]
|
[Grain032]
|
||||||
(gauss) phi1 163.508 Phi 24.4238 phi2 127.809 scatter 0.0 fraction 1.0
|
(gauss) phi1 163.508 Phi 24.4238 phi2 127.809
|
||||||
|
|
||||||
[Grain033]
|
[Grain033]
|
||||||
(gauss) phi1 193.405 Phi 157.012 phi2 321.342 scatter 0.0 fraction 1.0
|
(gauss) phi1 193.405 Phi 157.012 phi2 321.342
|
||||||
|
|
||||||
[Grain034]
|
[Grain034]
|
||||||
(gauss) phi1 9.09886 Phi 95.9453 phi2 102.32 scatter 0.0 fraction 1.0
|
(gauss) phi1 9.09886 Phi 95.9453 phi2 102.32
|
||||||
|
|
||||||
[Grain035]
|
[Grain035]
|
||||||
(gauss) phi1 353.876 Phi 150.824 phi2 174.886 scatter 0.0 fraction 1.0
|
(gauss) phi1 353.876 Phi 150.824 phi2 174.886
|
||||||
|
|
||||||
[Grain036]
|
[Grain036]
|
||||||
(gauss) phi1 138.914 Phi 76.5811 phi2 167.927 scatter 0.0 fraction 1.0
|
(gauss) phi1 138.914 Phi 76.5811 phi2 167.927
|
||||||
|
|
||||||
[Grain037]
|
[Grain037]
|
||||||
(gauss) phi1 262.655 Phi 76.2738 phi2 12.4459 scatter 0.0 fraction 1.0
|
(gauss) phi1 262.655 Phi 76.2738 phi2 12.4459
|
||||||
|
|
||||||
[Grain038]
|
[Grain038]
|
||||||
(gauss) phi1 121.849 Phi 65.5254 phi2 192.601 scatter 0.0 fraction 1.0
|
(gauss) phi1 121.849 Phi 65.5254 phi2 192.601
|
||||||
|
|
||||||
[Grain039]
|
[Grain039]
|
||||||
(gauss) phi1 275.824 Phi 81.6788 phi2 164.228 scatter 0.0 fraction 1.0
|
(gauss) phi1 275.824 Phi 81.6788 phi2 164.228
|
||||||
|
|
||||||
[Grain040]
|
[Grain040]
|
||||||
(gauss) phi1 68.9202 Phi 160.5 phi2 210.862 scatter 0.0 fraction 1.0
|
(gauss) phi1 68.9202 Phi 160.5 phi2 210.862
|
||||||
|
|
||||||
[Grain041]
|
[Grain041]
|
||||||
(gauss) phi1 51.0398 Phi 82.7291 phi2 74.016 scatter 0.0 fraction 1.0
|
(gauss) phi1 51.0398 Phi 82.7291 phi2 74.016
|
||||||
|
|
||||||
[Grain042]
|
[Grain042]
|
||||||
(gauss) phi1 338.746 Phi 62.7854 phi2 129.362 scatter 0.0 fraction 1.0
|
(gauss) phi1 338.746 Phi 62.7854 phi2 129.362
|
||||||
|
|
||||||
[Grain043]
|
[Grain043]
|
||||||
(gauss) phi1 204.51 Phi 151.256 phi2 178.89 scatter 0.0 fraction 1.0
|
(gauss) phi1 204.51 Phi 151.256 phi2 178.89
|
||||||
|
|
||||||
[Grain044]
|
[Grain044]
|
||||||
(gauss) phi1 122.098 Phi 104.003 phi2 323.04 scatter 0.0 fraction 1.0
|
(gauss) phi1 122.098 Phi 104.003 phi2 323.04
|
||||||
|
|
||||||
[Grain045]
|
[Grain045]
|
||||||
(gauss) phi1 106.693 Phi 108.61 phi2 336.935 scatter 0.0 fraction 1.0
|
(gauss) phi1 106.693 Phi 108.61 phi2 336.935
|
||||||
|
|
||||||
[Grain046]
|
[Grain046]
|
||||||
(gauss) phi1 118.856 Phi 160.992 phi2 316.152 scatter 0.0 fraction 1.0
|
(gauss) phi1 118.856 Phi 160.992 phi2 316.152
|
||||||
|
|
||||||
[Grain047]
|
[Grain047]
|
||||||
(gauss) phi1 177.962 Phi 114.868 phi2 13.6918 scatter 0.0 fraction 1.0
|
(gauss) phi1 177.962 Phi 114.868 phi2 13.6918
|
||||||
|
|
||||||
[Grain048]
|
[Grain048]
|
||||||
(gauss) phi1 330.273 Phi 174.495 phi2 231.249 scatter 0.0 fraction 1.0
|
(gauss) phi1 330.273 Phi 174.495 phi2 231.249
|
||||||
|
|
||||||
[Grain049]
|
[Grain049]
|
||||||
(gauss) phi1 7.31937 Phi 94.7313 phi2 17.8461 scatter 0.0 fraction 1.0
|
(gauss) phi1 7.31937 Phi 94.7313 phi2 17.8461
|
||||||
|
|
||||||
[Grain050]
|
[Grain050]
|
||||||
(gauss) phi1 74.3385 Phi 49.9546 phi2 286.482 scatter 0.0 fraction 1.0
|
(gauss) phi1 74.3385 Phi 49.9546 phi2 286.482
|
||||||
|
|
||||||
[Grain051]
|
[Grain051]
|
||||||
(gauss) phi1 326.388 Phi 76.9547 phi2 214.758 scatter 0.0 fraction 1.0
|
(gauss) phi1 326.388 Phi 76.9547 phi2 214.758
|
||||||
|
|
||||||
[Grain052]
|
[Grain052]
|
||||||
(gauss) phi1 276.024 Phi 72.1242 phi2 275.884 scatter 0.0 fraction 1.0
|
(gauss) phi1 276.024 Phi 72.1242 phi2 275.884
|
||||||
|
|
||||||
[Grain053]
|
[Grain053]
|
||||||
(gauss) phi1 137.681 Phi 116.99 phi2 6.87047 scatter 0.0 fraction 1.0
|
(gauss) phi1 137.681 Phi 116.99 phi2 6.87047
|
||||||
|
|
||||||
[Grain054]
|
[Grain054]
|
||||||
(gauss) phi1 200.213 Phi 123.618 phi2 268.84 scatter 0.0 fraction 1.0
|
(gauss) phi1 200.213 Phi 123.618 phi2 268.84
|
||||||
|
|
||||||
[Grain055]
|
[Grain055]
|
||||||
(gauss) phi1 7.13702 Phi 56.2015 phi2 119.65 scatter 0.0 fraction 1.0
|
(gauss) phi1 7.13702 Phi 56.2015 phi2 119.65
|
||||||
|
|
||||||
[Grain056]
|
[Grain056]
|
||||||
(gauss) phi1 72.1783 Phi 81.0906 phi2 6.06213 scatter 0.0 fraction 1.0
|
(gauss) phi1 72.1783 Phi 81.0906 phi2 6.06213
|
||||||
|
|
||||||
[Grain057]
|
[Grain057]
|
||||||
(gauss) phi1 184.565 Phi 110.01 phi2 239.546 scatter 0.0 fraction 1.0
|
(gauss) phi1 184.565 Phi 110.01 phi2 239.546
|
||||||
|
|
||||||
[Grain058]
|
[Grain058]
|
||||||
(gauss) phi1 210.124 Phi 128.631 phi2 8.61611 scatter 0.0 fraction 1.0
|
(gauss) phi1 210.124 Phi 128.631 phi2 8.61611
|
||||||
|
|
||||||
[Grain059]
|
[Grain059]
|
||||||
(gauss) phi1 290.326 Phi 170.412 phi2 144.269 scatter 0.0 fraction 1.0
|
(gauss) phi1 290.326 Phi 170.412 phi2 144.269
|
||||||
|
|
||||||
[Grain060]
|
[Grain060]
|
||||||
(gauss) phi1 204.748 Phi 76.7343 phi2 200.385 scatter 0.0 fraction 1.0
|
(gauss) phi1 204.748 Phi 76.7343 phi2 200.385
|
||||||
|
|
||||||
[Grain061]
|
[Grain061]
|
||||||
(gauss) phi1 54.3015 Phi 65.9143 phi2 117.373 scatter 0.0 fraction 1.0
|
(gauss) phi1 54.3015 Phi 65.9143 phi2 117.373
|
||||||
|
|
||||||
[Grain062]
|
[Grain062]
|
||||||
(gauss) phi1 261.263 Phi 52.255 phi2 95.9146 scatter 0.0 fraction 1.0
|
(gauss) phi1 261.263 Phi 52.255 phi2 95.9146
|
||||||
|
|
||||||
[Grain063]
|
[Grain063]
|
||||||
(gauss) phi1 328.054 Phi 51.0778 phi2 24.2782 scatter 0.0 fraction 1.0
|
(gauss) phi1 328.054 Phi 51.0778 phi2 24.2782
|
||||||
|
|
||||||
[Grain064]
|
[Grain064]
|
||||||
(gauss) phi1 163.03 Phi 154.894 phi2 64.126 scatter 0.0 fraction 1.0
|
(gauss) phi1 163.03 Phi 154.894 phi2 64.126
|
||||||
|
|
||||||
[Grain065]
|
[Grain065]
|
||||||
(gauss) phi1 183.87 Phi 80.1848 phi2 18.7438 scatter 0.0 fraction 1.0
|
(gauss) phi1 183.87 Phi 80.1848 phi2 18.7438
|
||||||
|
|
||||||
[Grain066]
|
[Grain066]
|
||||||
(gauss) phi1 219.91 Phi 113.727 phi2 126.67 scatter 0.0 fraction 1.0
|
(gauss) phi1 219.91 Phi 113.727 phi2 126.67
|
||||||
|
|
||||||
[Grain067]
|
[Grain067]
|
||||||
(gauss) phi1 1.43844 Phi 87.6365 phi2 217.342 scatter 0.0 fraction 1.0
|
(gauss) phi1 1.43844 Phi 87.6365 phi2 217.342
|
||||||
|
|
||||||
[Grain068]
|
[Grain068]
|
||||||
(gauss) phi1 16.6245 Phi 162.07 phi2 43.7899 scatter 0.0 fraction 1.0
|
(gauss) phi1 16.6245 Phi 162.07 phi2 43.7899
|
||||||
|
|
||||||
[Grain069]
|
[Grain069]
|
||||||
(gauss) phi1 16.86 Phi 53.8682 phi2 256.917 scatter 0.0 fraction 1.0
|
(gauss) phi1 16.86 Phi 53.8682 phi2 256.917
|
||||||
|
|
||||||
[Grain070]
|
[Grain070]
|
||||||
(gauss) phi1 1.01921 Phi 118.449 phi2 307.223 scatter 0.0 fraction 1.0
|
(gauss) phi1 1.01921 Phi 118.449 phi2 307.223
|
||||||
|
|
||||||
[Grain071]
|
[Grain071]
|
||||||
(gauss) phi1 19.0397 Phi 83.8885 phi2 262.687 scatter 0.0 fraction 1.0
|
(gauss) phi1 19.0397 Phi 83.8885 phi2 262.687
|
||||||
|
|
||||||
[Grain072]
|
[Grain072]
|
||||||
(gauss) phi1 99.799 Phi 77.2307 phi2 84.9727 scatter 0.0 fraction 1.0
|
(gauss) phi1 99.799 Phi 77.2307 phi2 84.9727
|
||||||
|
|
||||||
[Grain073]
|
[Grain073]
|
||||||
(gauss) phi1 234.292 Phi 63.5029 phi2 250.315 scatter 0.0 fraction 1.0
|
(gauss) phi1 234.292 Phi 63.5029 phi2 250.315
|
||||||
|
|
||||||
[Grain074]
|
[Grain074]
|
||||||
(gauss) phi1 315.529 Phi 106.015 phi2 103.711 scatter 0.0 fraction 1.0
|
(gauss) phi1 315.529 Phi 106.015 phi2 103.711
|
||||||
|
|
||||||
[Grain075]
|
[Grain075]
|
||||||
(gauss) phi1 235.595 Phi 110.152 phi2 210.277 scatter 0.0 fraction 1.0
|
(gauss) phi1 235.595 Phi 110.152 phi2 210.277
|
||||||
|
|
||||||
[Grain076]
|
[Grain076]
|
||||||
(gauss) phi1 341.907 Phi 17.1839 phi2 332.75 scatter 0.0 fraction 1.0
|
(gauss) phi1 341.907 Phi 17.1839 phi2 332.75
|
||||||
|
|
||||||
[Grain077]
|
[Grain077]
|
||||||
(gauss) phi1 352.166 Phi 88.6049 phi2 114.964 scatter 0.0 fraction 1.0
|
(gauss) phi1 352.166 Phi 88.6049 phi2 114.964
|
||||||
|
|
||||||
[Grain078]
|
[Grain078]
|
||||||
(gauss) phi1 342.33 Phi 117.777 phi2 180.346 scatter 0.0 fraction 1.0
|
(gauss) phi1 342.33 Phi 117.777 phi2 180.346
|
||||||
|
|
||||||
[Grain079]
|
[Grain079]
|
||||||
(gauss) phi1 224.952 Phi 70.5702 phi2 148.486 scatter 0.0 fraction 1.0
|
(gauss) phi1 224.952 Phi 70.5702 phi2 148.486
|
||||||
|
|
||||||
[Grain080]
|
[Grain080]
|
||||||
(gauss) phi1 7.71702 Phi 23.6124 phi2 131.591 scatter 0.0 fraction 1.0
|
(gauss) phi1 7.71702 Phi 23.6124 phi2 131.591
|
||||||
|
|
||||||
[Grain081]
|
[Grain081]
|
||||||
(gauss) phi1 65.1024 Phi 138.774 phi2 247.344 scatter 0.0 fraction 1.0
|
(gauss) phi1 65.1024 Phi 138.774 phi2 247.344
|
||||||
|
|
||||||
[Grain082]
|
[Grain082]
|
||||||
(gauss) phi1 37.6181 Phi 51.5209 phi2 8.4169 scatter 0.0 fraction 1.0
|
(gauss) phi1 37.6181 Phi 51.5209 phi2 8.4169
|
||||||
|
|
||||||
[Grain083]
|
[Grain083]
|
||||||
(gauss) phi1 245.335 Phi 53.4543 phi2 52.5205 scatter 0.0 fraction 1.0
|
(gauss) phi1 245.335 Phi 53.4543 phi2 52.5205
|
||||||
|
|
||||||
[Grain084]
|
[Grain084]
|
||||||
(gauss) phi1 259.572 Phi 87.7026 phi2 272.065 scatter 0.0 fraction 1.0
|
(gauss) phi1 259.572 Phi 87.7026 phi2 272.065
|
||||||
|
|
||||||
[Grain085]
|
[Grain085]
|
||||||
(gauss) phi1 269.39 Phi 103.379 phi2 132.506 scatter 0.0 fraction 1.0
|
(gauss) phi1 269.39 Phi 103.379 phi2 132.506
|
||||||
|
|
||||||
[Grain086]
|
[Grain086]
|
||||||
(gauss) phi1 175.156 Phi 119.338 phi2 355.51 scatter 0.0 fraction 1.0
|
(gauss) phi1 175.156 Phi 119.338 phi2 355.51
|
||||||
|
|
||||||
[Grain087]
|
[Grain087]
|
||||||
(gauss) phi1 248.11 Phi 39.4772 phi2 310.371 scatter 0.0 fraction 1.0
|
(gauss) phi1 248.11 Phi 39.4772 phi2 310.371
|
||||||
|
|
||||||
[Grain088]
|
[Grain088]
|
||||||
(gauss) phi1 121.809 Phi 141.465 phi2 10.0736 scatter 0.0 fraction 1.0
|
(gauss) phi1 121.809 Phi 141.465 phi2 10.0736
|
||||||
|
|
||||||
[Grain089]
|
[Grain089]
|
||||||
(gauss) phi1 2.4357 Phi 47.118 phi2 274.654 scatter 0.0 fraction 1.0
|
(gauss) phi1 2.4357 Phi 47.118 phi2 274.654
|
||||||
|
|
||||||
[Grain090]
|
[Grain090]
|
||||||
(gauss) phi1 314.188 Phi 134.146 phi2 250.673 scatter 0.0 fraction 1.0
|
(gauss) phi1 314.188 Phi 134.146 phi2 250.673
|
||||||
|
|
||||||
[Grain091]
|
[Grain091]
|
||||||
(gauss) phi1 114.815 Phi 121.132 phi2 275.124 scatter 0.0 fraction 1.0
|
(gauss) phi1 114.815 Phi 121.132 phi2 275.124
|
||||||
|
|
||||||
[Grain092]
|
[Grain092]
|
||||||
(gauss) phi1 126.699 Phi 99.0325 phi2 320.537 scatter 0.0 fraction 1.0
|
(gauss) phi1 126.699 Phi 99.0325 phi2 320.537
|
||||||
|
|
||||||
[Grain093]
|
[Grain093]
|
||||||
(gauss) phi1 184.138 Phi 20.1663 phi2 159.314 scatter 0.0 fraction 1.0
|
(gauss) phi1 184.138 Phi 20.1663 phi2 159.314
|
||||||
|
|
||||||
[Grain094]
|
[Grain094]
|
||||||
(gauss) phi1 296.502 Phi 15.2389 phi2 39.382 scatter 0.0 fraction 1.0
|
(gauss) phi1 296.502 Phi 15.2389 phi2 39.382
|
||||||
|
|
||||||
[Grain095]
|
[Grain095]
|
||||||
(gauss) phi1 167.8 Phi 151.764 phi2 192.568 scatter 0.0 fraction 1.0
|
(gauss) phi1 167.8 Phi 151.764 phi2 192.568
|
||||||
|
|
||||||
[Grain096]
|
[Grain096]
|
||||||
(gauss) phi1 257.822 Phi 133.446 phi2 257.108 scatter 0.0 fraction 1.0
|
(gauss) phi1 257.822 Phi 133.446 phi2 257.108
|
||||||
|
|
||||||
[Grain097]
|
[Grain097]
|
||||||
(gauss) phi1 71.6923 Phi 74.5726 phi2 342.575 scatter 0.0 fraction 1.0
|
(gauss) phi1 71.6923 Phi 74.5726 phi2 342.575
|
||||||
|
|
||||||
[Grain098]
|
[Grain098]
|
||||||
(gauss) phi1 176.748 Phi 28.39 phi2 327.375 scatter 0.0 fraction 1.0
|
(gauss) phi1 176.748 Phi 28.39 phi2 327.375
|
||||||
|
|
||||||
[Grain099]
|
[Grain099]
|
||||||
(gauss) phi1 121.822 Phi 141.836 phi2 22.6349 scatter 0.0 fraction 1.0
|
(gauss) phi1 121.822 Phi 141.836 phi2 22.6349
|
||||||
|
|
||||||
[Grain100]
|
[Grain100]
|
||||||
(gauss) phi1 180.151 Phi 109.246 phi2 146.177 scatter 0.0 fraction 1.0
|
(gauss) phi1 180.151 Phi 109.246 phi2 146.177
|
||||||
|
|
|
||||||
|
|
@ -9,307 +9,206 @@
|
||||||
#-------------------#
|
#-------------------#
|
||||||
|
|
||||||
[Grain001]
|
[Grain001]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 1 fraction 1.0
|
(constituent) phase 1 texture 1 fraction 1.0
|
||||||
[Grain002]
|
[Grain002]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 2 fraction 1.0
|
(constituent) phase 1 texture 2 fraction 1.0
|
||||||
[Grain003]
|
[Grain003]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 3 fraction 1.0
|
(constituent) phase 1 texture 3 fraction 1.0
|
||||||
[Grain004]
|
[Grain004]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 4 fraction 1.0
|
(constituent) phase 1 texture 4 fraction 1.0
|
||||||
[Grain005]
|
[Grain005]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 5 fraction 1.0
|
(constituent) phase 1 texture 5 fraction 1.0
|
||||||
[Grain006]
|
[Grain006]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 6 fraction 1.0
|
(constituent) phase 1 texture 6 fraction 1.0
|
||||||
[Grain007]
|
[Grain007]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 7 fraction 1.0
|
(constituent) phase 1 texture 7 fraction 1.0
|
||||||
[Grain008]
|
[Grain008]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 8 fraction 1.0
|
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[Grain100]
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[cubeGrain]
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#-------------------#
|
#-------------------#
|
||||||
|
|
@ -317,214 +216,209 @@ crystallite 1
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||||||
#-------------------#
|
#-------------------#
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||||||
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||||||
(gauss) phi1 324.188825 Phi 103.089216 Phi2 160.373624 scatter 0 fraction 1
|
(gauss) phi1 324.188825 Phi 103.089216 Phi2 160.373624
|
||||||
[Grain006]
|
[Grain006]
|
||||||
(gauss) phi1 238.295585 Phi 165.416882 Phi2 234.307741 scatter 0 fraction 1
|
(gauss) phi1 238.295585 Phi 165.416882 Phi2 234.307741
|
||||||
[Grain007]
|
[Grain007]
|
||||||
(gauss) phi1 232.707177 Phi 110.733726 Phi2 308.049265 scatter 0 fraction 1
|
(gauss) phi1 232.707177 Phi 110.733726 Phi2 308.049265
|
||||||
[Grain008]
|
[Grain008]
|
||||||
(gauss) phi1 144.463291 Phi 125.891441 Phi2 348.674207 scatter 0 fraction 1
|
(gauss) phi1 144.463291 Phi 125.891441 Phi2 348.674207
|
||||||
[Grain009]
|
[Grain009]
|
||||||
(gauss) phi1 215.423832 Phi 69.759502 Phi2 164.477632 scatter 0 fraction 1
|
(gauss) phi1 215.423832 Phi 69.759502 Phi2 164.477632
|
||||||
[Grain010]
|
[Grain010]
|
||||||
(gauss) phi1 118.805444 Phi 143.057031 Phi2 271.963190 scatter 0 fraction 1
|
(gauss) phi1 118.805444 Phi 143.057031 Phi2 271.963190
|
||||||
[Grain011]
|
[Grain011]
|
||||||
(gauss) phi1 218.049576 Phi 64.017550 Phi2 323.040457 scatter 0 fraction 1
|
(gauss) phi1 218.049576 Phi 64.017550 Phi2 323.040457
|
||||||
[Grain012]
|
[Grain012]
|
||||||
(gauss) phi1 236.962483 Phi 134.312093 Phi2 220.433366 scatter 0 fraction 1
|
(gauss) phi1 236.962483 Phi 134.312093 Phi2 220.433366
|
||||||
[Grain013]
|
[Grain013]
|
||||||
(gauss) phi1 352.317686 Phi 3.356527 Phi2 92.447275 scatter 0 fraction 1
|
(gauss) phi1 352.317686 Phi 3.356527 Phi2 92.447275
|
||||||
[Grain014]
|
[Grain014]
|
||||||
(gauss) phi1 198.311545 Phi 71.452240 Phi2 199.441849 scatter 0 fraction 1
|
(gauss) phi1 198.311545 Phi 71.452240 Phi2 199.441849
|
||||||
[Grain015]
|
[Grain015]
|
||||||
(gauss) phi1 351.993635 Phi 36.500987 Phi2 236.852886 scatter 0 fraction 1
|
(gauss) phi1 351.993635 Phi 36.500987 Phi2 236.852886
|
||||||
[Grain016]
|
[Grain016]
|
||||||
(gauss) phi1 262.389063 Phi 101.249950 Phi2 334.305959 scatter 0 fraction 1
|
(gauss) phi1 262.389063 Phi 101.249950 Phi2 334.305959
|
||||||
[Grain017]
|
[Grain017]
|
||||||
(gauss) phi1 53.220668 Phi 69.570254 Phi2 277.061151 scatter 0 fraction 1
|
(gauss) phi1 53.220668 Phi 69.570254 Phi2 277.061151
|
||||||
[Grain018]
|
[Grain018]
|
||||||
(gauss) phi1 122.156119 Phi 140.207051 Phi2 221.172906 scatter 0 fraction 1
|
(gauss) phi1 122.156119 Phi 140.207051 Phi2 221.172906
|
||||||
[Grain019]
|
[Grain019]
|
||||||
(gauss) phi1 295.422170 Phi 26.595511 Phi2 263.206315 scatter 0 fraction 1
|
(gauss) phi1 295.422170 Phi 26.595511 Phi2 263.206315
|
||||||
[Grain020]
|
[Grain020]
|
||||||
(gauss) phi1 179.137406 Phi 104.500977 Phi2 151.742108 scatter 0 fraction 1
|
(gauss) phi1 179.137406 Phi 104.500977 Phi2 151.742108
|
||||||
[Grain021]
|
[Grain021]
|
||||||
(gauss) phi1 199.045094 Phi 5.228899 Phi2 356.542109 scatter 0 fraction 1
|
(gauss) phi1 199.045094 Phi 5.228899 Phi2 356.542109
|
||||||
[Grain022]
|
[Grain022]
|
||||||
(gauss) phi1 268.671476 Phi 24.835403 Phi2 33.578889 scatter 0 fraction 1
|
(gauss) phi1 268.671476 Phi 24.835403 Phi2 33.578889
|
||||||
[Grain023]
|
[Grain023]
|
||||||
(gauss) phi1 264.248527 Phi 59.766630 Phi2 340.865462 scatter 0 fraction 1
|
(gauss) phi1 264.248527 Phi 59.766630 Phi2 340.865462
|
||||||
[Grain024]
|
[Grain024]
|
||||||
(gauss) phi1 254.223491 Phi 51.125301 Phi2 201.094027 scatter 0 fraction 1
|
(gauss) phi1 254.223491 Phi 51.125301 Phi2 201.094027
|
||||||
[Grain025]
|
[Grain025]
|
||||||
(gauss) phi1 22.214008 Phi 92.248774 Phi2 215.168318 scatter 0 fraction 1
|
(gauss) phi1 22.214008 Phi 92.248774 Phi2 215.168318
|
||||||
[Grain026]
|
[Grain026]
|
||||||
(gauss) phi1 49.511491 Phi 79.933539 Phi2 187.188575 scatter 0 fraction 1
|
(gauss) phi1 49.511491 Phi 79.933539 Phi2 187.188575
|
||||||
[Grain027]
|
[Grain027]
|
||||||
(gauss) phi1 318.916204 Phi 113.102650 Phi2 241.076629 scatter 0 fraction 1
|
(gauss) phi1 318.916204 Phi 113.102650 Phi2 241.076629
|
||||||
[Grain028]
|
[Grain028]
|
||||||
(gauss) phi1 239.378433 Phi 89.578655 Phi2 94.167043 scatter 0 fraction 1
|
(gauss) phi1 239.378433 Phi 89.578655 Phi2 94.167043
|
||||||
[Grain029]
|
[Grain029]
|
||||||
(gauss) phi1 27.561421 Phi 142.892093 Phi2 197.735666 scatter 0 fraction 1
|
(gauss) phi1 27.561421 Phi 142.892093 Phi2 197.735666
|
||||||
[Grain030]
|
[Grain030]
|
||||||
(gauss) phi1 135.210581 Phi 165.859834 Phi2 285.449561 scatter 0 fraction 1
|
(gauss) phi1 135.210581 Phi 165.859834 Phi2 285.449561
|
||||||
[Grain031]
|
[Grain031]
|
||||||
(gauss) phi1 223.515916 Phi 56.824378 Phi2 343.289074 scatter 0 fraction 1
|
(gauss) phi1 223.515916 Phi 56.824378 Phi2 343.289074
|
||||||
[Grain032]
|
[Grain032]
|
||||||
(gauss) phi1 41.127974 Phi 111.289145 Phi2 214.855145 scatter 0 fraction 1
|
(gauss) phi1 41.127974 Phi 111.289145 Phi2 214.855145
|
||||||
[Grain033]
|
[Grain033]
|
||||||
(gauss) phi1 17.335045 Phi 140.496745 Phi2 77.747371 scatter 0 fraction 1
|
(gauss) phi1 17.335045 Phi 140.496745 Phi2 77.747371
|
||||||
[Grain034]
|
[Grain034]
|
||||||
(gauss) phi1 36.206421 Phi 148.574232 Phi2 88.870226 scatter 0 fraction 1
|
(gauss) phi1 36.206421 Phi 148.574232 Phi2 88.870226
|
||||||
[Grain035]
|
[Grain035]
|
||||||
(gauss) phi1 159.618336 Phi 125.680504 Phi2 204.119403 scatter 0 fraction 1
|
(gauss) phi1 159.618336 Phi 125.680504 Phi2 204.119403
|
||||||
[Grain036]
|
[Grain036]
|
||||||
(gauss) phi1 8.752464 Phi 99.173166 Phi2 143.227089 scatter 0 fraction 1
|
(gauss) phi1 8.752464 Phi 99.173166 Phi2 143.227089
|
||||||
[Grain037]
|
[Grain037]
|
||||||
(gauss) phi1 351.570753 Phi 67.343218 Phi2 1.779612 scatter 0 fraction 1
|
(gauss) phi1 351.570753 Phi 67.343218 Phi2 1.779612
|
||||||
[Grain038]
|
[Grain038]
|
||||||
(gauss) phi1 46.771572 Phi 155.018674 Phi2 302.319987 scatter 0 fraction 1
|
(gauss) phi1 46.771572 Phi 155.018674 Phi2 302.319987
|
||||||
[Grain039]
|
[Grain039]
|
||||||
(gauss) phi1 244.255976 Phi 80.566566 Phi2 264.069331 scatter 0 fraction 1
|
(gauss) phi1 244.255976 Phi 80.566566 Phi2 264.069331
|
||||||
[Grain040]
|
[Grain040]
|
||||||
(gauss) phi1 41.775388 Phi 47.109507 Phi2 300.598550 scatter 0 fraction 1
|
(gauss) phi1 41.775388 Phi 47.109507 Phi2 300.598550
|
||||||
[Grain041]
|
[Grain041]
|
||||||
(gauss) phi1 268.753103 Phi 46.654050 Phi2 190.382041 scatter 0 fraction 1
|
(gauss) phi1 268.753103 Phi 46.654050 Phi2 190.382041
|
||||||
[Grain042]
|
[Grain042]
|
||||||
(gauss) phi1 239.574480 Phi 62.517793 Phi2 147.817535 scatter 0 fraction 1
|
(gauss) phi1 239.574480 Phi 62.517793 Phi2 147.817535
|
||||||
[Grain043]
|
[Grain043]
|
||||||
(gauss) phi1 128.059775 Phi 61.916743 Phi2 169.674359 scatter 0 fraction 1
|
(gauss) phi1 128.059775 Phi 61.916743 Phi2 169.674359
|
||||||
[Grain044]
|
[Grain044]
|
||||||
(gauss) phi1 166.545156 Phi 58.709099 Phi2 252.885391 scatter 0 fraction 1
|
(gauss) phi1 166.545156 Phi 58.709099 Phi2 252.885391
|
||||||
[Grain045]
|
[Grain045]
|
||||||
(gauss) phi1 92.867691 Phi 28.906456 Phi2 164.197290 scatter 0 fraction 1
|
(gauss) phi1 92.867691 Phi 28.906456 Phi2 164.197290
|
||||||
[Grain046]
|
[Grain046]
|
||||||
(gauss) phi1 291.056147 Phi 35.145174 Phi2 250.155599 scatter 0 fraction 1
|
(gauss) phi1 291.056147 Phi 35.145174 Phi2 250.155599
|
||||||
[Grain047]
|
[Grain047]
|
||||||
(gauss) phi1 79.015862 Phi 44.772479 Phi2 267.982808 scatter 0 fraction 1
|
(gauss) phi1 79.015862 Phi 44.772479 Phi2 267.982808
|
||||||
[Grain048]
|
[Grain048]
|
||||||
(gauss) phi1 108.400702 Phi 69.883075 Phi2 222.737053 scatter 0 fraction 1
|
(gauss) phi1 108.400702 Phi 69.883075 Phi2 222.737053
|
||||||
[Grain049]
|
[Grain049]
|
||||||
(gauss) phi1 348.326500 Phi 11.339714 Phi2 121.682346 scatter 0 fraction 1
|
(gauss) phi1 348.326500 Phi 11.339714 Phi2 121.682346
|
||||||
[Grain050]
|
[Grain050]
|
||||||
(gauss) phi1 331.476209 Phi 108.775043 Phi2 335.139671 scatter 0 fraction 1
|
(gauss) phi1 331.476209 Phi 108.775043 Phi2 335.139671
|
||||||
[Grain051]
|
[Grain051]
|
||||||
(gauss) phi1 196.750278 Phi 93.955106 Phi2 63.689075 scatter 0 fraction 1
|
(gauss) phi1 196.750278 Phi 93.955106 Phi2 63.689075
|
||||||
[Grain052]
|
[Grain052]
|
||||||
(gauss) phi1 136.077875 Phi 130.508342 Phi2 128.468976 scatter 0 fraction 1
|
(gauss) phi1 136.077875 Phi 130.508342 Phi2 128.468976
|
||||||
[Grain053]
|
[Grain053]
|
||||||
(gauss) phi1 239.643513 Phi 76.284643 Phi2 168.821008 scatter 0 fraction 1
|
(gauss) phi1 239.643513 Phi 76.284643 Phi2 168.821008
|
||||||
[Grain054]
|
[Grain054]
|
||||||
(gauss) phi1 113.850670 Phi 117.531757 Phi2 71.971648 scatter 0 fraction 1
|
(gauss) phi1 113.850670 Phi 117.531757 Phi2 71.971648
|
||||||
[Grain055]
|
[Grain055]
|
||||||
(gauss) phi1 149.554071 Phi 16.543098 Phi2 195.556172 scatter 0 fraction 1
|
(gauss) phi1 149.554071 Phi 16.543098 Phi2 195.556172
|
||||||
[Grain056]
|
[Grain056]
|
||||||
(gauss) phi1 46.626579 Phi 52.447846 Phi2 304.495569 scatter 0 fraction 1
|
(gauss) phi1 46.626579 Phi 52.447846 Phi2 304.495569
|
||||||
[Grain057]
|
[Grain057]
|
||||||
(gauss) phi1 255.251821 Phi 86.678048 Phi2 238.982712 scatter 0 fraction 1
|
(gauss) phi1 255.251821 Phi 86.678048 Phi2 238.982712
|
||||||
[Grain058]
|
[Grain058]
|
||||||
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|
(gauss) phi1 324.266133 Phi 28.075458 Phi2 41.191295
|
||||||
[Grain059]
|
[Grain059]
|
||||||
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|
(gauss) phi1 312.000332 Phi 74.648725 Phi2 87.403581
|
||||||
[Grain060]
|
[Grain060]
|
||||||
(gauss) phi1 57.742481 Phi 163.241519 Phi2 68.491438 scatter 0 fraction 1
|
(gauss) phi1 57.742481 Phi 163.241519 Phi2 68.491438
|
||||||
[Grain061]
|
[Grain061]
|
||||||
(gauss) phi1 112.442447 Phi 51.735320 Phi2 206.538656 scatter 0 fraction 1
|
(gauss) phi1 112.442447 Phi 51.735320 Phi2 206.538656
|
||||||
[Grain062]
|
[Grain062]
|
||||||
(gauss) phi1 297.453842 Phi 115.283041 Phi2 57.785319 scatter 0 fraction 1
|
(gauss) phi1 297.453842 Phi 115.283041 Phi2 57.785319
|
||||||
[Grain063]
|
[Grain063]
|
||||||
(gauss) phi1 119.132681 Phi 117.923565 Phi2 196.121206 scatter 0 fraction 1
|
(gauss) phi1 119.132681 Phi 117.923565 Phi2 196.121206
|
||||||
[Grain064]
|
[Grain064]
|
||||||
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|
(gauss) phi1 199.267314 Phi 163.091476 Phi2 53.549301
|
||||||
[Grain065]
|
[Grain065]
|
||||||
(gauss) phi1 37.765215 Phi 76.795488 Phi2 146.264753 scatter 0 fraction 1
|
(gauss) phi1 37.765215 Phi 76.795488 Phi2 146.264753
|
||||||
[Grain066]
|
[Grain066]
|
||||||
(gauss) phi1 324.550183 Phi 27.665150 Phi2 56.383148 scatter 0 fraction 1
|
(gauss) phi1 324.550183 Phi 27.665150 Phi2 56.383148
|
||||||
[Grain067]
|
[Grain067]
|
||||||
(gauss) phi1 337.305377 Phi 136.807151 Phi2 133.661586 scatter 0 fraction 1
|
(gauss) phi1 337.305377 Phi 136.807151 Phi2 133.661586
|
||||||
[Grain068]
|
[Grain068]
|
||||||
(gauss) phi1 115.744041 Phi 64.536978 Phi2 262.694800 scatter 0 fraction 1
|
(gauss) phi1 115.744041 Phi 64.536978 Phi2 262.694800
|
||||||
[Grain069]
|
[Grain069]
|
||||||
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|
(gauss) phi1 136.293403 Phi 48.862462 Phi2 343.319175
|
||||||
[Grain070]
|
[Grain070]
|
||||||
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|
(gauss) phi1 111.030931 Phi 80.823213 Phi2 84.041594
|
||||||
[Grain071]
|
[Grain071]
|
||||||
(gauss) phi1 303.985249 Phi 118.929631 Phi2 302.307709 scatter 0 fraction 1
|
(gauss) phi1 303.985249 Phi 118.929631 Phi2 302.307709
|
||||||
[Grain072]
|
[Grain072]
|
||||||
(gauss) phi1 193.556259 Phi 75.928015 Phi2 176.696899 scatter 0 fraction 1
|
(gauss) phi1 193.556259 Phi 75.928015 Phi2 176.696899
|
||||||
[Grain073]
|
[Grain073]
|
||||||
(gauss) phi1 102.543259 Phi 121.929923 Phi2 234.496773 scatter 0 fraction 1
|
(gauss) phi1 102.543259 Phi 121.929923 Phi2 234.496773
|
||||||
[Grain074]
|
[Grain074]
|
||||||
(gauss) phi1 218.581323 Phi 101.753894 Phi2 305.566089 scatter 0 fraction 1
|
(gauss) phi1 218.581323 Phi 101.753894 Phi2 305.566089
|
||||||
[Grain075]
|
[Grain075]
|
||||||
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|
(gauss) phi1 229.542114 Phi 118.839215 Phi2 129.179156
|
||||||
[Grain076]
|
[Grain076]
|
||||||
(gauss) phi1 202.258840 Phi 139.205956 Phi2 352.248979 scatter 0 fraction 1
|
(gauss) phi1 202.258840 Phi 139.205956 Phi2 352.248979
|
||||||
[Grain077]
|
[Grain077]
|
||||||
(gauss) phi1 137.954289 Phi 63.806918 Phi2 128.975049 scatter 0 fraction 1
|
(gauss) phi1 137.954289 Phi 63.806918 Phi2 128.975049
|
||||||
[Grain078]
|
[Grain078]
|
||||||
(gauss) phi1 327.557366 Phi 84.987420 Phi2 345.483143 scatter 0 fraction 1
|
(gauss) phi1 327.557366 Phi 84.987420 Phi2 345.483143
|
||||||
[Grain079]
|
[Grain079]
|
||||||
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|
(gauss) phi1 334.610243 Phi 74.535474 Phi2 106.419231
|
||||||
[Grain080]
|
[Grain080]
|
||||||
(gauss) phi1 62.906243 Phi 46.752029 Phi2 222.692276 scatter 0 fraction 1
|
(gauss) phi1 62.906243 Phi 46.752029 Phi2 222.692276
|
||||||
[Grain081]
|
[Grain081]
|
||||||
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|
(gauss) phi1 254.121439 Phi 121.005485 Phi2 287.265977
|
||||||
[Grain082]
|
[Grain082]
|
||||||
(gauss) phi1 140.765045 Phi 141.268031 Phi2 271.327656 scatter 0 fraction 1
|
(gauss) phi1 140.765045 Phi 141.268031 Phi2 271.327656
|
||||||
[Grain083]
|
[Grain083]
|
||||||
(gauss) phi1 10.726984 Phi 66.339177 Phi2 189.073212 scatter 0 fraction 1
|
(gauss) phi1 10.726984 Phi 66.339177 Phi2 189.073212
|
||||||
[Grain084]
|
[Grain084]
|
||||||
(gauss) phi1 270.921536 Phi 72.821127 Phi2 313.590515 scatter 0 fraction 1
|
(gauss) phi1 270.921536 Phi 72.821127 Phi2 313.590515
|
||||||
[Grain085]
|
[Grain085]
|
||||||
(gauss) phi1 299.059668 Phi 23.884874 Phi2 80.016277 scatter 0 fraction 1
|
(gauss) phi1 299.059668 Phi 23.884874 Phi2 80.016277
|
||||||
[Grain086]
|
[Grain086]
|
||||||
(gauss) phi1 208.617406 Phi 11.031834 Phi2 302.388247 scatter 0 fraction 1
|
(gauss) phi1 208.617406 Phi 11.031834 Phi2 302.388247
|
||||||
[Grain087]
|
[Grain087]
|
||||||
(gauss) phi1 62.929967 Phi 65.223261 Phi2 108.558265 scatter 0 fraction 1
|
(gauss) phi1 62.929967 Phi 65.223261 Phi2 108.558265
|
||||||
[Grain088]
|
[Grain088]
|
||||||
(gauss) phi1 9.014959 Phi 33.542169 Phi2 247.970366 scatter 0 fraction 1
|
(gauss) phi1 9.014959 Phi 33.542169 Phi2 247.970366
|
||||||
[Grain089]
|
[Grain089]
|
||||||
(gauss) phi1 272.432808 Phi 30.065174 Phi2 19.803570 scatter 0 fraction 1
|
(gauss) phi1 272.432808 Phi 30.065174 Phi2 19.803570
|
||||||
[Grain090]
|
[Grain090]
|
||||||
(gauss) phi1 179.621980 Phi 151.763475 Phi2 61.871794 scatter 0 fraction 1
|
(gauss) phi1 179.621980 Phi 151.763475 Phi2 61.871794
|
||||||
[Grain091]
|
[Grain091]
|
||||||
(gauss) phi1 247.810321 Phi 112.752980 Phi2 264.668469 scatter 0 fraction 1
|
(gauss) phi1 247.810321 Phi 112.752980 Phi2 264.668469
|
||||||
[Grain092]
|
[Grain092]
|
||||||
(gauss) phi1 270.780630 Phi 102.037858 Phi2 31.602610 scatter 0 fraction 1
|
(gauss) phi1 270.780630 Phi 102.037858 Phi2 31.602610
|
||||||
[Grain093]
|
[Grain093]
|
||||||
(gauss) phi1 17.626672 Phi 56.032415 Phi2 245.079600 scatter 0 fraction 1
|
(gauss) phi1 17.626672 Phi 56.032415 Phi2 245.079600
|
||||||
[Grain094]
|
[Grain094]
|
||||||
(gauss) phi1 112.165186 Phi 87.390459 Phi2 182.086729 scatter 0 fraction 1
|
(gauss) phi1 112.165186 Phi 87.390459 Phi2 182.086729
|
||||||
[Grain095]
|
[Grain095]
|
||||||
(gauss) phi1 157.869381 Phi 79.905131 Phi2 107.037081 scatter 0 fraction 1
|
(gauss) phi1 157.869381 Phi 79.905131 Phi2 107.037081
|
||||||
[Grain096]
|
[Grain096]
|
||||||
(gauss) phi1 106.163846 Phi 148.477084 Phi2 350.980466 scatter 0 fraction 1
|
(gauss) phi1 106.163846 Phi 148.477084 Phi2 350.980466
|
||||||
[Grain097]
|
[Grain097]
|
||||||
(gauss) phi1 262.138550 Phi 58.923588 Phi2 111.303439 scatter 0 fraction 1
|
(gauss) phi1 262.138550 Phi 58.923588 Phi2 111.303439
|
||||||
[Grain098]
|
[Grain098]
|
||||||
(gauss) phi1 88.739397 Phi 119.092789 Phi2 222.502594 scatter 0 fraction 1
|
(gauss) phi1 88.739397 Phi 119.092789 Phi2 222.502594
|
||||||
[Grain099]
|
[Grain099]
|
||||||
(gauss) phi1 337.603765 Phi 10.145102 Phi2 80.934916 scatter 0 fraction 1
|
(gauss) phi1 337.603765 Phi 10.145102 Phi2 80.934916
|
||||||
[Grain100]
|
[Grain100]
|
||||||
(gauss) phi1 341.022242 Phi 45.927285 Phi2 252.045476 scatter 0 fraction 1
|
(gauss) phi1 341.022242 Phi 45.927285 Phi2 252.045476
|
||||||
|
|
||||||
[cube]
|
[cube]
|
||||||
(gauss) phi1 0 Phi 0 phi2 0 scatter 0 fraction 1
|
(gauss) phi1 0 Phi 0 phi2 0
|
||||||
|
|
||||||
#-------------------#
|
|
||||||
<crystallite>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
{../ConfigFiles/Crystallite_All.config}
|
|
||||||
|
|
||||||
#-------------------#
|
#-------------------#
|
||||||
<phase>
|
<phase>
|
||||||
|
|
|
||||||
|
|
@ -1,94 +0,0 @@
|
||||||
2 header
|
|
||||||
$Id: postResults 861 2011-05-06 10:00:27Z MPIE\c.kords $
|
|
||||||
inc time elem node ip grain ip.x ip.y ip.z CauchyStress.intensity CauchyStress.t11 CauchyStress.t22 CauchyStress.t33 CauchyStress.t12 CauchyStress.t23 CauchyStress.t13 1_1_f 1_2_f 1_3_f 1_4_f 1_5_f 1_6_f 1_7_f 1_8_f 1_9_f 1_1_grainrotation 1_2_grainrotation 1_3_grainrotation 1_4_grainrotation 1_1_resistance_slip 1_2_resistance_slip 1_3_resistance_slip 1_4_resistance_slip 1_5_resistance_slip 1_6_resistance_slip 1_7_resistance_slip 1_8_resistance_slip 1_9_resistance_slip 1_10_resistance_slip 1_11_resistance_slip 1_12_resistance_slip
|
|
||||||
0 0.0 1 5 1 1 0.5 0.5 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
1 1.0 1 5 1 1 0.5 0.5 0.5 0.024172998067 0.056046936661 0.0577092021704 0.0580734722316 0.0075496127829 0.00882737897336 0.00766104180366 1.0 1.1259596093e-13 1.12595994811e-13 1.55780499177e-13 0.999847710133 -0.0174524057657 1.55782193243e-13 0.0174524057657 0.999847710133 1.0 -1.23725617425e-12 1.23720879461e-12 1.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
2 2.0 1 5 1 1 0.5 0.5 0.5 0.0241432830571 0.0377263836563 0.0324090756476 0.033376660198 0.00727691268548 0.00865175202489 0.00764666078612 1.0 1.10501743118e-13 1.10501777e-13 1.50193822223e-13 0.99939084053 -0.034899495542 1.55527744546e-13 0.034899495542 0.99939084053 1.0 -6.45080505939e-13 5.68662738426e-13 2.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
3 3.0 1 5 1 1 0.5 0.5 0.5 0.0257848323757 0.0201567672193 0.00817993376404 0.00972554087639 0.00701188668609 0.00847246591002 0.00763081293553 1.0 1.08486407791e-13 1.08486434896e-13 1.447601533e-13 0.998629510403 -0.0523359552026 1.55243941075e-13 0.0523359552026 0.998629510403 1.0 -4.46705416797e-13 3.46547009838e-13 3.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
4 4.0 1 5 1 1 0.5 0.5 0.5 0.0286209738301 0.00342932180502 -0.0149000706151 -0.0128218811005 0.00675505120307 0.00828998535872 0.0076136472635 1.0 1.06547922069e-13 1.06547949174e-13 1.39501515266e-13 0.997564077377 -0.0697564706206 1.54932937682e-13 0.0697564706206 0.997564077377 1.0 -3.46813588048e-13 2.36204529243e-13 4.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
5 5.0 1 5 1 1 0.5 0.5 0.5 0.032148640163 -0.0124530605972 -0.0368128865957 -0.0341981202364 0.00650494545698 0.00810338370502 0.00759505899623 1.0 1.04684232745e-13 1.04684253074e-13 1.34370257434e-13 0.996194720268 -0.0871557444334 1.54588120733e-13 0.0871557444334 0.996194720268 1.0 -2.8629133569e-13 1.70304512138e-13 5.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
6 6.0 1 5 1 1 0.5 0.5 0.5 0.0360145416329 -0.027449907735 -0.0575108379126 -0.0543776340783 0.00626290449873 0.00791467912495 0.0075753852725 1.0 1.02893266281e-13 1.0289328661e-13 1.29417364412e-13 0.994521915913 -0.104528464377 1.54218746606e-13 0.104528464377 0.994521915913 1.0 -2.45509477548e-13 1.26874964528e-13 6.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
7 7.0 1 5 1 1 0.5 0.5 0.5 0.0399740663918 -0.0415176264942 -0.0769297853112 -0.0733039304614 0.00602708896622 0.00772315822542 0.00755509966984 1.0 1.01173003352e-13 1.01173016904e-13 1.24581768512e-13 0.992546141148 -0.121869340539 1.5383908611e-13 0.121869340539 0.992546141148 1.0 -2.1607593644e-13 9.60403970436e-14 7.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
8 8.0 1 5 1 1 0.5 0.5 0.5 0.0438656010832 -0.0547002702951 -0.0950862541795 -0.0910048484802 0.00579795939848 0.0075320713222 0.00753418169916 1.0 9.95214110774e-14 9.952142463e-14 1.19883541028e-13 0.990268051624 -0.139173105359 1.5344615769e-13 0.139173105359 0.990268051624 1.0 -1.93732616754e-13 7.31539937134e-14 8.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
9 9.0 1 5 1 1 0.5 0.5 0.5 0.0476265064906 -0.06693007797 -0.111963532865 -0.107425913215 0.00557443965226 0.00733647309244 0.00751292472705 1.0 9.79365107892e-14 9.79365175654e-14 1.15288543144e-13 0.987688362598 -0.156434461474 1.53048269045e-13 0.156434461474 0.987688362598 1.0 -1.7614966289e-13 5.54610577028e-14 9.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
10 10.0 1 5 1 1 0.5 0.5 0.5 0.0511619284052 -0.0781974568963 -0.127493560314 -0.122531078756 0.00535882124677 0.00714056473225 0.00749061629176 1.0 9.64163509231e-14 9.64163509231e-14 1.10881335851e-13 0.984807729721 -0.173648178577 1.52618409989e-13 0.173648178577 0.984807729721 1.0 -1.61827379296e-13 4.16502735892e-14 10.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
11 11.0 1 5 1 1 0.5 0.5 0.5 0.0544590124719 -0.088471762836 -0.141687169671 -0.136302277446 0.0051483400166 0.00694213900715 0.00746928341687 1.0 9.49590273492e-14 9.49590341255e-14 1.06568040796e-13 0.981627166271 -0.190808996558 1.52226335378e-13 0.190808996558 0.981627166271 1.0 -1.50064490456e-13 3.04205106743e-14 11.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
12 12.0 1 5 1 1 0.5 0.5 0.5 0.0574517639017 -0.0978478044271 -0.154580652714 -0.148810505867 0.00494291307405 0.00674560666084 0.00744635425508 1.0 9.35626969238e-14 9.35626969238e-14 1.02349369485e-13 0.978147625923 -0.207911685109 1.51779779608e-13 0.207911685109 0.978147625923 1.0 -1.40004354681e-13 2.11307767752e-14 12.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
13 13.0 1 5 1 1 0.5 0.5 0.5 0.0601600304963 -0.10622742027 -0.166131272912 -0.159981891513 0.0047429674305 0.00654464075342 0.00742361694574 1.0 9.22255571608e-14 9.22255503845e-14 9.82438888813e-14 0.974370062351 -0.224951043725 1.5134031181e-13 0.224951043725 0.974370062351 1.0 -1.31394718782e-13 1.33769905892e-14 13.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
14 14.0 1 5 1 1 0.5 0.5 0.5 0.0625560237246 -0.113614186645 -0.176321923733 -0.169804736972 0.00454916572198 0.00634495634586 0.00740135088563 1.0 9.09458597841e-14 9.09458530078e-14 9.42784397643e-14 0.970295727253 -0.241921886802 1.50916524286e-13 0.241921886802 0.970295727253 1.0 -1.23946358277e-13 6.88772167895e-15 14.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
15 15.0 1 5 1 1 0.5 0.5 0.5 0.064623152588 -0.120048590004 -0.185179919004 -0.17832493782 0.00435922853649 0.00614238297567 0.00737902149558 1.0 8.97219175041e-14 8.97219107278e-14 9.03759421358e-14 0.965925812721 -0.258819043636 1.50488345743e-13 0.258819043636 0.965925812721 1.0 -1.17391732728e-13 1.26347923687e-15 15.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
16 16.0 1 5 1 1 0.5 0.5 0.5 0.0663746195376 -0.125523671508 -0.192728817463 -0.185538485646 0.00417540827766 0.00594279170036 0.00735600618646 1.0 8.85521107938e-14 8.85521040175e-14 8.66191951607e-14 0.961261689663 -0.275637358427 1.50032669123e-13 0.275637358427 0.961261689663 1.0 -1.11524369384e-13 -3.50626472131e-15 16.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
17 17.0 1 5 1 1 0.5 0.5 0.5 0.0677872073143 -0.130049750209 -0.198957800865 -0.191445931792 0.00399514567107 0.00573630817235 0.00733454944566 1.0 8.74348675601e-14 8.74348607838e-14 8.29210628655e-14 0.956304728985 -0.292371690273 1.49627706059e-13 0.292371690273 0.956304728985 1.0 -1.06359209905e-13 -7.7192983925e-15 17.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
18 18.0 1 5 1 1 0.5 0.5 0.5 0.0688726440667 -0.13366368413 -0.20391356945 -0.196102648973 0.00382082024589 0.00553295295686 0.00731354439631 1.0 8.63686902487e-14 8.63686766962e-14 7.93686337898e-14 0.951056540012 -0.309017002583 1.49233476596e-13 0.309017002583 0.951056540012 1.0 -1.01717394815e-13 -1.1326327212e-14 18.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
19 19.0 1 5 1 1 0.5 0.5 0.5 0.0696297180331 -0.136321663857 -0.207558274269 -0.199463963509 0.00364940264262 0.00533262779936 0.00729088904336 1.0 8.53521355156e-14 8.53521151868e-14 7.58580481416e-14 0.945518553257 -0.325568139553 1.48775008155e-13 0.325568139553 0.945518553257 1.0 -9.7403408581e-14 -1.45807929668e-14 19.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
20 20.0 1 5 1 1 0.5 0.5 0.5 0.0700644066665 -0.138097688556 -0.209973961115 -0.201613843441 0.00348059250973 0.00512766698375 0.00727100577205 1.0 8.43838074503e-14 8.43837938977e-14 7.23816555195e-14 0.939692616463 -0.342020124197 1.48407572039e-13 0.342020124197 0.939692616463 1.0 -9.35965172554e-14 -1.75459757942e-14 20.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
21 21.0 1 5 1 1 0.5 0.5 0.5 0.0701877711751 -0.138971403241 -0.211157605052 -0.20253777504 0.00331580708735 0.00492311827838 0.00725055858493 1.0 8.34624050102e-14 8.34623846814e-14 6.89923311081e-14 0.933580458164 -0.358367949724 1.4801277337e-13 0.358367949724 0.933580458164 1.0 -9.0061604821e-14 -2.01888507268e-14 21.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
22 22.0 1 5 1 1 0.5 0.5 0.5 0.0699866553715 -0.138959825039 -0.211107447743 -0.202245801687 0.00315649039112 0.00472341617569 0.00723067810759 1.0 8.25866610342e-14 8.25866339291e-14 6.57438174539e-14 0.927183866501 -0.374606579542 1.4762987382e-13 0.374606579542 0.927183866501 1.0 -8.68153950963e-14 -2.24807118179e-14 22.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
23 23.0 1 5 1 1 0.5 0.5 0.5 0.0694881714825 -0.138143435121 -0.209938883781 -0.200845211744 0.00299837184139 0.00451778201386 0.00721126794815 1.0 8.17553761235e-14 8.17553490184e-14 6.24881345127e-14 0.920504868031 -0.39073112607 1.47254902499e-13 0.39073112607 0.920504868031 1.0 -8.38166477413e-14 -2.46553706542e-14 23.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
24 24.0 1 5 1 1 0.5 0.5 0.5 0.0687132541533 -0.136471450329 -0.20762142539 -0.198303565383 0.0028445108328 0.00431606685743 0.00719203986228 1.0 8.09674050896e-14 8.09673779845e-14 5.93358776826e-14 0.913545489311 -0.406736642122 1.46877193567e-13 0.406736642122 0.913545489311 1.0 -8.10227265054e-14 -2.65915626107e-14 24.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
25 25.0 1 5 1 1 0.5 0.5 0.5 0.0676169983635 -0.13403198123 -0.204196736217 -0.194667950273 0.00269203982316 0.00410861568525 0.00717331608757 1.0 8.02216705066e-14 8.02216434015e-14 5.61884252234e-14 0.906307816505 -0.422618240118 1.46507656809e-13 0.422618240118 0.906307816505 1.0 -7.84230400888e-14 -2.84337508508e-14 25.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
26 26.0 1 5 1 1 0.5 0.5 0.5 0.0662631331079 -0.130787238479 -0.199683398008 -0.189970225096 0.00254649785347 0.00390863511711 0.00715752178803 1.0 7.95171491586e-14 7.95171220536e-14 5.32437219585e-14 0.898794054985 -0.438371151686 1.46231442753e-13 0.438371151686 0.898794054985 1.0 -7.6093421657e-14 -2.99671074901e-14 26.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
27 27.0 1 5 1 1 0.5 0.5 0.5 0.0646436064666 -0.126818150282 -0.194168791175 -0.184269443154 0.00239934097044 0.00370743637905 0.00713936518878 1.0 7.88528788163e-14 7.8852844935e-14 5.02027178238e-14 0.891006529331 -0.453990489244 1.45861472314e-13 0.453990489244 0.891006529331 1.0 -7.37995886732e-14 -3.15536984562e-14 27.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
28 28.0 1 5 1 1 0.5 0.5 0.5 0.0627565607148 -0.122118026018 -0.18763422966 -0.177565723658 0.00225654477254 0.00350114423782 0.00712363282219 1.0 7.82279311316e-14 7.82279040265e-14 4.72786279527e-14 0.88294762373 -0.469471544027 1.45566271168e-13 0.469471544027 0.88294762373 1.0 -7.17171954418e-14 -3.29618534615e-14 28.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
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|
||||||
64 64.0 1 5 1 1 0.5 0.5 0.5 0.0697129410434 0.212010905147 0.274793446064 0.284571915865 -0.00236255140044 -0.00370562658645 0.00708921952173 1.0 7.82279175791e-14 7.82278430402e-14 -4.73467022966e-14 0.438371151686 -0.898794054985 1.45545264751e-13 0.898794054985 0.438371151686 1.0 -3.74487496135e-14 -6.98572872725e-14 64.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
65 65.0 1 5 1 1 0.5 0.5 0.5 0.0714181561332 0.216807678342 0.281412482262 0.290993452072 -0.00250276038423 -0.00390887679532 0.00710331602022 1.0 7.88528652638e-14 7.88527839486e-14 -5.01717130298e-14 0.42261826992 -0.906307756901 1.45856701825e-13 0.906307756901 0.42261826992 1.0 -3.69653241935e-14 -7.11814369383e-14 65.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
66 66.0 1 5 1 1 0.5 0.5 0.5 0.0728654392243 0.220906943083 0.287071973085 0.296444416046 -0.00265323766507 -0.00410525733605 0.00711599038914 1.0 7.95171356061e-14 7.95170542909e-14 -5.33217404692e-14 0.406736671925 -0.913545429707 1.46108494227e-13 0.913545429707 0.406736671925 1.0 -3.64467062487e-14 -7.27051272377e-14 66.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
67 67.0 1 5 1 1 0.5 0.5 0.5 0.0740421446261 0.224261745811 0.291689932346 0.300876945257 -0.00280131306499 -0.00430715922266 0.00713248644024 1.0 8.0221656954e-14 8.02215688626e-14 -5.63473692618e-14 0.390731155872 -0.920504868031 1.46486108291e-13 0.920504868031 0.390731155872 1.0 -3.59935876677e-14 -7.41815937562e-14 67.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
68 68.0 1 5 1 1 0.5 0.5 0.5 0.0749262839347 0.22694632411 0.295370638371 0.30431458354 -0.00294701498933 -0.00449755322188 0.00714947842062 1.0 8.09673915371e-14 8.09673034456e-14 -5.92471696161e-14 0.374606609344 -0.927183866501 1.46872639918e-13 0.927183866501 0.374606609344 1.0 -3.55405978356e-14 -7.56131336471e-14 68.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
69 69.0 1 5 1 1 0.5 0.5 0.5 0.0755447188712 0.228792086244 0.297914654016 0.306645393372 -0.00310259847902 -0.00470214849338 0.00716820033267 1.0 8.17553557947e-14 8.17552677033e-14 -6.24511022323e-14 0.358367979527 -0.93358039856 1.47312107716e-13 0.93358039856 0.358367979527 1.0 -3.51104440118e-14 -7.7233013008e-14 69.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
70 70.0 1 5 1 1 0.5 0.5 0.5 0.0758345472717 0.229867011309 0.299378037453 0.307846367359 -0.00326239760034 -0.00490199634805 0.00718151498586 1.0 8.25866474817e-14 8.2586552614e-14 -6.57566788021e-14 0.342020153999 -0.939692616463 1.47553288489e-13 0.939692616463 0.342020153999 1.0 -3.45680752631e-14 -7.89318358395e-14 70.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
71 71.0 1 5 1 1 0.5 0.5 0.5 0.0758360864293 0.230157241225 0.299764603376 0.307952821255 -0.00342002091929 -0.00510233594105 0.00720483297482 1.0 8.34623914577e-14 8.34623033663e-14 -6.89357628598e-14 0.325568169355 -0.945518553257 1.48140492386e-13 0.945518553257 0.325568169355 1.0 -3.42024992312e-14 -8.05897232628e-14 71.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
72 72.0 1 5 1 1 0.5 0.5 0.5 0.075525141316 0.229602411389 0.298972666264 0.306899368763 -0.00358790112659 -0.0052975253202 0.00721790129319 1.0 8.43837938977e-14 8.438369903e-14 -7.24243798614e-14 0.309017002583 -0.951056480408 1.48359772276e-13 0.951056480408 0.309017002583 1.0 -3.36342078863e-14 -8.24389384882e-14 72.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
73 73.0 1 5 1 1 0.5 0.5 0.5 0.0749000000883 0.228239625692 0.29704400897 0.304708212614 -0.00375670660287 -0.00549271516502 0.00723527790979 1.0 8.5352121963e-14 8.53520203191e-14 -7.58904522341e-14 0.292371720076 -0.956304728985 1.48725527878e-13 0.956304728985 0.292371720076 1.0 -3.3134577032e-14 -8.43050130574e-14 73.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
74 74.0 1 5 1 1 0.5 0.5 0.5 0.0739484623657 0.225991547108 0.293922573328 0.301260143518 -0.00392613513395 -0.00569652067497 0.00725413672626 1.0 8.63686766962e-14 8.63685818285e-14 -7.93205019896e-14 0.275637388229 -0.961261689663 1.49138825747e-13 0.961261689663 0.275637388229 1.0 -3.26499251084e-14 -8.6183183257e-14 74.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
75 75.0 1 5 1 1 0.5 0.5 0.5 0.072654064954 0.22285503149 0.289548963308 0.296567112207 -0.00410118186846 -0.00588755588979 0.00727464165539 1.0 8.74348607838e-14 8.74347591399e-14 -8.2887859174e-14 0.258819073439 -0.965925812721 1.49606293066e-13 0.965925812721 0.258819073439 1.0 -3.21823527571e-14 -8.81655249567e-14 75.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
76 76.0 1 5 1 1 0.5 0.5 0.5 0.0710590306271 0.218880146742 0.284022808075 0.290706813335 -0.00428106123582 -0.00608264096081 0.00729729793966 1.0 8.85520972413e-14 8.85519955973e-14 -8.65618002082e-14 0.241921916604 -0.970295727253 1.50146700086e-13 0.970295727253 0.241921916604 1.0 -3.17401744536e-14 -9.02373878744e-14 76.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
77 77.0 1 5 1 1 0.5 0.5 0.5 0.0691430442849 0.214006558061 0.277257710695 0.283598601818 -0.00446529500186 -0.00628326507285 0.00731486734003 1.0 8.97219039515e-14 8.97218023076e-14 -9.03223757722e-14 0.224951073527 -0.974370062351 1.5050570653e-13 0.974370062351 0.224951073527 1.0 -3.11913851952e-14 -9.23900916167e-14 77.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
78 78.0 1 5 1 1 0.5 0.5 0.5 0.0668996797354 0.208257958293 0.269263744354 0.275259256363 -0.00465713022277 -0.00647377641872 0.00733389845118 1.0 9.09458462315e-14 9.09457378113e-14 -9.42809808631e-14 0.207911714911 -0.978147566319 1.50915440084e-13 0.978147566319 0.207911714911 1.0 -3.06547254486e-14 -9.46824541513e-14 78.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
79 79.0 1 5 1 1 0.5 0.5 0.5 0.0643428410009 0.201603919268 0.260032474995 0.265651851892 -0.00485096639022 -0.00666582910344 0.00735527323559 1.0 9.22255503845e-14 9.2225435188e-14 -9.82367805808e-14 0.190809011459 -0.981627166271 1.51408264181e-13 0.981627166271 0.190809011459 1.0 -3.0145265624e-14 -9.70135769136e-14 79.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
80 80.0 1 5 1 1 0.5 0.5 0.5 0.0614645414137 0.194048047066 0.249545291066 0.254766076803 -0.00505235884339 -0.00686362525448 0.00737208453938 1.0 9.35626901476e-14 9.35625817274e-14 -1.02382444428e-13 0.17364820838 -0.984807729721 1.51741778322e-13 0.984807729721 0.17364820838 1.0 -2.95383529648e-14 -9.94839518924e-14 80.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
81 81.0 1 5 1 1 0.5 0.5 0.5 0.0582718432416 0.185640856624 0.237853914499 0.242651328444 -0.00525587564334 -0.00704948464409 0.00739240786061 1.0 9.49590273492e-14 9.49589053765e-14 -1.06522917657e-13 0.156434491277 -0.987688362598 1.52202360958e-13 0.987688362598 0.156434491277 1.0 -2.89785014561e-14 -1.01996719176e-13 81.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
82 82.0 1 5 1 1 0.5 0.5 0.5 0.0548411210712 0.176334485412 0.224956199527 0.229332342744 -0.00546766957268 -0.00723874382675 0.00740870647132 1.0 9.64163441469e-14 9.64162289504e-14 -1.10871842306e-13 0.13917312026 -0.990268051624 1.52525670045e-13 0.990268051624 0.13917312026 1.0 -2.833043316e-14 -1.04662663898e-13 82.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
83 83.0 1 5 1 1 0.5 0.5 0.5 0.0511313149972 0.166156679392 0.210826560855 0.214756399393 -0.00568466819823 -0.00742362486199 0.00743296789005 1.0 9.79365040129e-14 9.79363888164e-14 -1.15317233844e-13 0.121869370341 -0.992546141148 1.53136387577e-13 0.992546141148 0.121869370341 1.0 -2.78072717305e-14 -1.07427616607e-13 83.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
84 84.0 1 5 1 1 0.5 0.5 0.5 0.0472034591648 0.155100286007 0.195493191481 0.198953047395 -0.00591072347015 -0.00760667771101 0.00744895776734 1.0 9.95214110774e-14 9.95212891047e-14 -1.19991419145e-13 0.104528486729 -0.994521915913 1.53463518477e-13 0.994521915913 0.104528486729 1.0 -2.7119679183e-14 -1.10360986571e-13 84.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
85 85.0 1 5 1 1 0.5 0.5 0.5 0.0431223359335 0.143299892545 0.179094478488 0.182078793645 -0.0061384961009 -0.00779581116512 0.00746519910172 1.0 1.01173003352e-13 1.01172881379e-13 -1.24631763785e-13 0.0871557667851 -0.996194720268 1.53809826204e-13 0.996194720268 0.0871557667851 1.0 -2.64190067528e-14 -1.13333658864e-13 85.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
86 86.0 1 5 1 1 0.5 0.5 0.5 0.0389558933784 0.130603894591 0.161492869258 0.163967981935 -0.00637407042086 -0.00797392893583 0.00748812500387 1.0 1.02893273058e-13 1.02893144309e-13 -1.29449253508e-13 0.069756500423 -0.997564077377 1.54404497543e-13 0.997564077377 0.069756500423 1.0 -2.58185688134e-14 -1.16454941393e-13 86.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
87 87.0 1 5 1 1 0.5 0.5 0.5 0.0348200893229 0.117140188813 0.142814710736 0.144770666957 -0.00661494443193 -0.00814818497747 0.0075002736412 1.0 1.04684239521e-13 1.04684103996e-13 -1.34351825997e-13 0.0523359812796 -0.998629510403 1.5463373854e-13 0.998629510403 0.0523359812796 1.0 -2.50090916129e-14 -1.19682055607e-13 87.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
88 88.0 1 5 1 1 0.5 0.5 0.5 0.0309165569603 0.102922193706 0.123093500733 0.124490439892 -0.00686429999769 -0.0083291567862 0.00751314265653 1.0 1.06547935622e-13 1.06547800097e-13 -1.39447996336e-13 0.0348995216191 -0.99939084053 1.54905873285e-13 0.99939084053 0.0348995216191 1.0 -2.41937732733e-14 -1.23072938559e-13 88.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
89 89.0 1 5 1 1 0.5 0.5 0.5 0.0275482477894 0.0879731550813 0.102374792099 0.103184834123 -0.00712391687557 -0.00850248057395 0.00752882473171 1.0 1.08486421344e-13 1.08486279042e-13 -1.44796799334e-13 0.0174524337053 -0.999847710133 1.55297460004e-13 0.999847710133 0.0174524337053 1.0 -2.34091547958e-14 -1.26660902361e-13 89.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
90 90.0 1 5 1 1 0.5 0.5 0.5 0.0251206236511 0.0723270624876 0.0806358680129 0.0808931067586 -0.00738708348945 -0.00866825506091 0.00754283368587 1.0 1.10501756671e-13 1.10501614369e-13 -1.50157664081e-13 2.67917759089e-08 -1.0 1.55653268052e-13 1.0 2.67920814423e-08 1.0 -2.25758302298e-14 -1.30329706988e-13 90.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0 31000000.0
|
|
||||||
|
|
@ -1,3 +0,0 @@
|
||||||
1 header
|
|
||||||
inc elem node ip grain ip.x ip.y ip.z 1_1_p 1_2_p 1_3_p 1_4_p 1_5_p 1_6_p 1_7_p 1_8_p 1_9_p 1_1_div(p) 1_2_div(p) 1_3_div(p) 1_norm(div(p))
|
|
||||||
90 1 5 1 1 0.5 0.5 0.5 0.0723270624876 0.00754283322021 0.00738708395511 -0.00738708348945 -0.00866825319827 -0.0806358680129 0.00754283368587 0.0808931067586 0.00866825692356 0.000000 0.000000 0.000000 0.000000
|
|
||||||
|
|
@ -3,25 +3,12 @@
|
||||||
#-------------------#
|
#-------------------#
|
||||||
|
|
||||||
[direct]
|
[direct]
|
||||||
mech none # isostrain 1 grain
|
mech none
|
||||||
|
|
||||||
thermal adiabatic # thermal strain (stress) induced mass transport
|
thermal adiabatic
|
||||||
initialT 300.0
|
t0 330.0
|
||||||
(output) temperature
|
(output) temperature
|
||||||
|
|
||||||
#-------------------#
|
|
||||||
<crystallite>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
[aLittleSomething]
|
|
||||||
|
|
||||||
(output) texture
|
|
||||||
(output) f
|
|
||||||
(output) p
|
|
||||||
(output) fe
|
|
||||||
(output) fi
|
|
||||||
(output) fp
|
|
||||||
|
|
||||||
#-------------------#
|
#-------------------#
|
||||||
<phase>
|
<phase>
|
||||||
#-------------------#
|
#-------------------#
|
||||||
|
|
@ -34,6 +21,12 @@ plasticity none
|
||||||
{config/elastic_isotropic.config}
|
{config/elastic_isotropic.config}
|
||||||
{config/thermal.config}
|
{config/thermal.config}
|
||||||
|
|
||||||
|
(output) f
|
||||||
|
(output) p
|
||||||
|
(output) fe
|
||||||
|
(output) fi
|
||||||
|
(output) fp
|
||||||
|
|
||||||
#.................
|
#.................
|
||||||
[Ti matrix]
|
[Ti matrix]
|
||||||
|
|
||||||
|
|
@ -43,6 +36,12 @@ plasticity none
|
||||||
{config/elastic_Ti.config}
|
{config/elastic_Ti.config}
|
||||||
{config/thermal.config}
|
{config/thermal.config}
|
||||||
|
|
||||||
|
(output) f
|
||||||
|
(output) p
|
||||||
|
(output) fe
|
||||||
|
(output) fi
|
||||||
|
(output) fp
|
||||||
|
|
||||||
#.................
|
#.................
|
||||||
[isotropic inclusion]
|
[isotropic inclusion]
|
||||||
|
|
||||||
|
|
@ -52,6 +51,12 @@ plasticity none
|
||||||
{config/thermal.config}
|
{config/thermal.config}
|
||||||
{config/thermalExpansion_isotropic.config}
|
{config/thermalExpansion_isotropic.config}
|
||||||
|
|
||||||
|
(output) f
|
||||||
|
(output) p
|
||||||
|
(output) fe
|
||||||
|
(output) fi
|
||||||
|
(output) fp
|
||||||
|
|
||||||
#.................
|
#.................
|
||||||
[anisotropic inclusion]
|
[anisotropic inclusion]
|
||||||
|
|
||||||
|
|
@ -61,6 +66,12 @@ plasticity none
|
||||||
{config/thermal.config}
|
{config/thermal.config}
|
||||||
{config/thermalExpansion_fullyAnisotropic.config}
|
{config/thermalExpansion_fullyAnisotropic.config}
|
||||||
|
|
||||||
|
(output) f
|
||||||
|
(output) p
|
||||||
|
(output) fe
|
||||||
|
(output) fi
|
||||||
|
(output) fp
|
||||||
|
|
||||||
#.................
|
#.................
|
||||||
[Ti inclusion]
|
[Ti inclusion]
|
||||||
|
|
||||||
|
|
@ -71,32 +82,32 @@ plasticity none
|
||||||
{config/thermal.config}
|
{config/thermal.config}
|
||||||
{config/thermalExpansion_Ti.config}
|
{config/thermalExpansion_Ti.config}
|
||||||
|
|
||||||
|
(output) f
|
||||||
|
(output) p
|
||||||
|
(output) fe
|
||||||
|
(output) fi
|
||||||
|
(output) fp
|
||||||
|
|
||||||
#--------------------------#
|
#--------------------------#
|
||||||
<microstructure>
|
<microstructure>
|
||||||
#--------------------------#
|
#--------------------------#
|
||||||
|
|
||||||
[isotropic matrix]
|
[isotropic matrix]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 1 fraction 1.0
|
(constituent) phase 1 texture 1 fraction 1.0
|
||||||
|
|
||||||
[Ti matrix]
|
[Ti matrix]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 2 texture 1 fraction 1.0
|
(constituent) phase 2 texture 1 fraction 1.0
|
||||||
|
|
||||||
[isotropic inclusion]
|
[isotropic inclusion]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 3 texture 1 fraction 1.0
|
(constituent) phase 3 texture 1 fraction 1.0
|
||||||
|
|
||||||
[anisotropic inclusion]
|
[anisotropic inclusion]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 4 texture 1 fraction 1.0
|
(constituent) phase 4 texture 1 fraction 1.0
|
||||||
|
|
||||||
[rotated inclusion]
|
[rotated inclusion]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 4 texture 2 fraction 1.0
|
(constituent) phase 4 texture 2 fraction 1.0
|
||||||
|
|
||||||
[Ti inclusion]
|
[Ti inclusion]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 5 texture 1 fraction 1.0
|
(constituent) phase 5 texture 1 fraction 1.0
|
||||||
|
|
||||||
#--------------------------#
|
#--------------------------#
|
||||||
|
|
@ -104,8 +115,8 @@ crystallite 1
|
||||||
#--------------------------#
|
#--------------------------#
|
||||||
|
|
||||||
[cube]
|
[cube]
|
||||||
(gauss) phi1 0.0 Phi 0.0 phi2 0.0 scatter 0.0 fraction 1.0
|
(gauss) phi1 0.0 Phi 0.0 phi2 0.0
|
||||||
|
|
||||||
[rotated]
|
[rotated]
|
||||||
(gauss) phi1 0.0 Phi 45.0 phi2 0.0 scatter 0.0 fraction 1.0
|
(gauss) phi1 0.0 Phi 45.0 phi2 0.0
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -1,54 +0,0 @@
|
||||||
#!/usr/bin/env bash
|
|
||||||
|
|
||||||
for geom in $(ls geom/*.geom)
|
|
||||||
do
|
|
||||||
base=${geom%.geom}
|
|
||||||
base=${base#geom/}
|
|
||||||
name=${base}_thermal
|
|
||||||
vtr=${base}.vtr
|
|
||||||
|
|
||||||
[[ -f ${name}.spectralOut ]] || \
|
|
||||||
DAMASK_spectral \
|
|
||||||
--workingdir ./ \
|
|
||||||
--load thermal.load \
|
|
||||||
--geom $geom \
|
|
||||||
> ${name}.out
|
|
||||||
|
|
||||||
if [ ! -f postProc/${name}_inc10.txt ]
|
|
||||||
then
|
|
||||||
postResults ${name}.spectralOut \
|
|
||||||
--ho temperature \
|
|
||||||
--cr f,fe,fi,fp,p \
|
|
||||||
--split \
|
|
||||||
--separation x,y,z \
|
|
||||||
|
|
||||||
addCauchy postProc/${name}_inc*.txt \
|
|
||||||
|
|
||||||
addDeviator postProc/${name}_inc*.txt \
|
|
||||||
--spherical \
|
|
||||||
--tensor p,Cauchy \
|
|
||||||
|
|
||||||
addDisplacement postProc/${name}_inc*.txt \
|
|
||||||
--nodal \
|
|
||||||
|
|
||||||
fi
|
|
||||||
|
|
||||||
geom_check ${geom}
|
|
||||||
|
|
||||||
for inc in {00..10}
|
|
||||||
do
|
|
||||||
echo "generating postProc/${name}_inc${inc}.vtr"
|
|
||||||
cp geom/${vtr} postProc/${name}_inc${inc}.vtr
|
|
||||||
vtk_addRectilinearGridData \
|
|
||||||
postProc/${name}_inc${inc}.txt \
|
|
||||||
--vtk postProc/${name}_inc${inc}.vtr \
|
|
||||||
--data 'sph(p)','sph(Cauchy)',temperature \
|
|
||||||
--tensor f,fe,fi,fp,p,Cauchy \
|
|
||||||
|
|
||||||
vtk_addRectilinearGridData \
|
|
||||||
postProc/${name}_inc${inc}_nodal.txt \
|
|
||||||
--vtk postProc/${name}_inc${inc}.vtr \
|
|
||||||
--data 'avg(f).pos','fluct(f).pos' \
|
|
||||||
|
|
||||||
done
|
|
||||||
done
|
|
||||||
|
|
@ -51,64 +51,44 @@ atol_resistance 1
|
||||||
<microstructure>
|
<microstructure>
|
||||||
#-------------------#
|
#-------------------#
|
||||||
[Grain01]
|
[Grain01]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 01 fraction 1.0
|
(constituent) phase 1 texture 01 fraction 1.0
|
||||||
[Grain02]
|
[Grain02]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 02 fraction 1.0
|
(constituent) phase 1 texture 02 fraction 1.0
|
||||||
[Grain03]
|
[Grain03]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 03 fraction 1.0
|
(constituent) phase 1 texture 03 fraction 1.0
|
||||||
[Grain04]
|
[Grain04]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 04 fraction 1.0
|
(constituent) phase 1 texture 04 fraction 1.0
|
||||||
[Grain05]
|
[Grain05]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 05 fraction 1.0
|
(constituent) phase 1 texture 05 fraction 1.0
|
||||||
[Grain06]
|
[Grain06]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 06 fraction 1.0
|
(constituent) phase 1 texture 06 fraction 1.0
|
||||||
[Grain07]
|
[Grain07]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 07 fraction 1.0
|
(constituent) phase 1 texture 07 fraction 1.0
|
||||||
[Grain08]
|
[Grain08]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 08 fraction 1.0
|
(constituent) phase 1 texture 08 fraction 1.0
|
||||||
[Grain09]
|
[Grain09]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 09 fraction 1.0
|
(constituent) phase 1 texture 09 fraction 1.0
|
||||||
[Grain10]
|
[Grain10]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 10 fraction 1.0
|
(constituent) phase 1 texture 10 fraction 1.0
|
||||||
[Grain11]
|
[Grain11]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 11 fraction 1.0
|
(constituent) phase 1 texture 11 fraction 1.0
|
||||||
[Grain12]
|
[Grain12]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 12 fraction 1.0
|
(constituent) phase 1 texture 12 fraction 1.0
|
||||||
[Grain13]
|
[Grain13]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 13 fraction 1.0
|
(constituent) phase 1 texture 13 fraction 1.0
|
||||||
[Grain14]
|
[Grain14]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 14 fraction 1.0
|
(constituent) phase 1 texture 14 fraction 1.0
|
||||||
[Grain15]
|
[Grain15]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 15 fraction 1.0
|
(constituent) phase 1 texture 15 fraction 1.0
|
||||||
[Grain16]
|
[Grain16]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 16 fraction 1.0
|
(constituent) phase 1 texture 16 fraction 1.0
|
||||||
[Grain17]
|
[Grain17]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 17 fraction 1.0
|
(constituent) phase 1 texture 17 fraction 1.0
|
||||||
[Grain18]
|
[Grain18]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 18 fraction 1.0
|
(constituent) phase 1 texture 18 fraction 1.0
|
||||||
[Grain19]
|
[Grain19]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 19 fraction 1.0
|
(constituent) phase 1 texture 19 fraction 1.0
|
||||||
[Grain20]
|
[Grain20]
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 20 fraction 1.0
|
(constituent) phase 1 texture 20 fraction 1.0
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -116,42 +96,42 @@ crystallite 1
|
||||||
<texture>
|
<texture>
|
||||||
#-------------------#
|
#-------------------#
|
||||||
[Grain01]
|
[Grain01]
|
||||||
(gauss) phi1 0.0 Phi 0.0 phi2 0.0 scatter 0.0 fraction 1.0
|
(gauss) phi1 0.0 Phi 0.0 phi2 0.0
|
||||||
[Grain02]
|
[Grain02]
|
||||||
(gauss) phi1 257.468172 Phi 53.250534 phi2 157.331503 scatter 0.0 fraction 1.0
|
(gauss) phi1 257.468172 Phi 53.250534 phi2 157.331503
|
||||||
[Grain03]
|
[Grain03]
|
||||||
(gauss) phi1 216.994815 Phi 94.418518 phi2 251.147231 scatter 0.0 fraction 1.0
|
(gauss) phi1 216.994815 Phi 94.418518 phi2 251.147231
|
||||||
[Grain04]
|
[Grain04]
|
||||||
(gauss) phi1 196.157946 Phi 55.870978 phi2 21.68117 scatter 0.0 fraction 1.0
|
(gauss) phi1 196.157946 Phi 55.870978 phi2 21.68117
|
||||||
[Grain05]
|
[Grain05]
|
||||||
(gauss) phi1 152.515728 Phi 139.769395 phi2 240.036018 scatter 0.0 fraction 1.0
|
(gauss) phi1 152.515728 Phi 139.769395 phi2 240.036018
|
||||||
[Grain06]
|
[Grain06]
|
||||||
(gauss) phi1 232.521881 Phi 73.749222 phi2 241.429633 scatter 0.0 fraction 1.0
|
(gauss) phi1 232.521881 Phi 73.749222 phi2 241.429633
|
||||||
[Grain07]
|
[Grain07]
|
||||||
(gauss) phi1 157.531396 Phi 135.503513 phi2 75.737722 scatter 0.0 fraction 1.0
|
(gauss) phi1 157.531396 Phi 135.503513 phi2 75.737722
|
||||||
[Grain08]
|
[Grain08]
|
||||||
(gauss) phi1 321.03828 Phi 27.209843 phi2 46.413467 scatter 0.0 fraction 1.0
|
(gauss) phi1 321.03828 Phi 27.209843 phi2 46.413467
|
||||||
[Grain09]
|
[Grain09]
|
||||||
(gauss) phi1 346.918594 Phi 87.495569 phi2 113.554206 scatter 0.0 fraction 1.0
|
(gauss) phi1 346.918594 Phi 87.495569 phi2 113.554206
|
||||||
[Grain10]
|
[Grain10]
|
||||||
(gauss) phi1 138.038947 Phi 99.827132 phi2 130.935878 scatter 0.0 fraction 1.0
|
(gauss) phi1 138.038947 Phi 99.827132 phi2 130.935878
|
||||||
[Grain11]
|
[Grain11]
|
||||||
(gauss) phi1 285.021014 Phi 118.092004 phi2 205.270837 scatter 0.0 fraction 1.0
|
(gauss) phi1 285.021014 Phi 118.092004 phi2 205.270837
|
||||||
[Grain12]
|
[Grain12]
|
||||||
(gauss) phi1 190.402171 Phi 56.738068 phi2 157.896545 scatter 0.0 fraction 1.0
|
(gauss) phi1 190.402171 Phi 56.738068 phi2 157.896545
|
||||||
[Grain13]
|
[Grain13]
|
||||||
(gauss) phi1 204.496042 Phi 95.031265 phi2 355.814582 scatter 0.0 fraction 1.0
|
(gauss) phi1 204.496042 Phi 95.031265 phi2 355.814582
|
||||||
[Grain14]
|
[Grain14]
|
||||||
(gauss) phi1 333.21479 Phi 82.133355 phi2 36.736132 scatter 0.0 fraction 1.0
|
(gauss) phi1 333.21479 Phi 82.133355 phi2 36.736132
|
||||||
[Grain15]
|
[Grain15]
|
||||||
(gauss) phi1 25.572981 Phi 164.242648 phi2 75.195632 scatter 0.0 fraction 1.0
|
(gauss) phi1 25.572981 Phi 164.242648 phi2 75.195632
|
||||||
[Grain16]
|
[Grain16]
|
||||||
(gauss) phi1 31.366548 Phi 76.392403 phi2 58.071426 scatter 0.0 fraction 1.0
|
(gauss) phi1 31.366548 Phi 76.392403 phi2 58.071426
|
||||||
[Grain17]
|
[Grain17]
|
||||||
(gauss) phi1 7.278623 Phi 77.044663 phi2 235.118997 scatter 0.0 fraction 1.0
|
(gauss) phi1 7.278623 Phi 77.044663 phi2 235.118997
|
||||||
[Grain18]
|
[Grain18]
|
||||||
(gauss) phi1 299.743144 Phi 76.475096 phi2 91.184977 scatter 0.0 fraction 1.0
|
(gauss) phi1 299.743144 Phi 76.475096 phi2 91.184977
|
||||||
[Grain19]
|
[Grain19]
|
||||||
(gauss) phi1 280.13643 Phi 27.439718 phi2 167.871878 scatter 0.0 fraction 1.0
|
(gauss) phi1 280.13643 Phi 27.439718 phi2 167.871878
|
||||||
[Grain20]
|
[Grain20]
|
||||||
(gauss) phi1 313.204373 Phi 68.676053 phi2 87.993213 scatter 0.0 fraction 1.0
|
(gauss) phi1 313.204373 Phi 68.676053 phi2 87.993213
|
||||||
|
|
|
||||||
|
|
@ -99,14 +99,9 @@ else
|
||||||
fi
|
fi
|
||||||
|
|
||||||
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
|
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
|
||||||
if test "$DAMASK_HDF5" = "ON";then
|
H5FC="$(h5fc -shlib -show)"
|
||||||
H5FC="$(h5fc -shlib -show)"
|
HDF5_LIB=${H5FC//ifort/}
|
||||||
HDF5_LIB=${H5FC//ifort/}
|
FCOMP="$H5FC -DDAMASK_HDF5"
|
||||||
FCOMP="$H5FC -DDAMASK_HDF5"
|
|
||||||
echo $FCOMP
|
|
||||||
else
|
|
||||||
FCOMP=ifort
|
|
||||||
fi
|
|
||||||
|
|
||||||
# AEM
|
# AEM
|
||||||
if test "$MARCDLLOUTDIR" = ""; then
|
if test "$MARCDLLOUTDIR" = ""; then
|
||||||
|
|
|
||||||
|
|
@ -99,14 +99,9 @@ else
|
||||||
fi
|
fi
|
||||||
|
|
||||||
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
|
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
|
||||||
if test "$DAMASK_HDF5" = "ON";then
|
H5FC="$(h5fc -shlib -show)"
|
||||||
H5FC="$(h5fc -shlib -show)"
|
HDF5_LIB=${H5FC//ifort/}
|
||||||
HDF5_LIB=${H5FC//ifort/}
|
FCOMP="$H5FC -DDAMASK_HDF5"
|
||||||
FCOMP="$H5FC -DDAMASK_HDF5"
|
|
||||||
echo $FCOMP
|
|
||||||
else
|
|
||||||
FCOMP=ifort
|
|
||||||
fi
|
|
||||||
|
|
||||||
# AEM
|
# AEM
|
||||||
if test "$MARCDLLOUTDIR" = ""; then
|
if test "$MARCDLLOUTDIR" = ""; then
|
||||||
|
|
|
||||||
|
|
@ -100,11 +100,9 @@ else
|
||||||
fi
|
fi
|
||||||
|
|
||||||
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
|
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
|
||||||
if test "$DAMASK_HDF5" = "ON";then
|
H5FC="$(h5fc -shlib -show)"
|
||||||
H5FC="$(h5fc -shlib -show)"
|
HDF5_LIB=${H5FC//ifort/}
|
||||||
HDF5_LIB=${H5FC//ifort/}
|
FCOMP="$H5FC -DDAMASK_HDF5"
|
||||||
FCOMP="$H5FC -DDAMASK_HDF5"
|
|
||||||
fi
|
|
||||||
|
|
||||||
# AEM
|
# AEM
|
||||||
if test "$MARCDLLOUTDIR" = ""; then
|
if test "$MARCDLLOUTDIR" = ""; then
|
||||||
|
|
|
||||||
|
|
@ -9,14 +9,6 @@ cd DAMASK_ROOT
|
||||||
patch -p1 < installation/patch/nameOfPatch
|
patch -p1 < installation/patch/nameOfPatch
|
||||||
```
|
```
|
||||||
|
|
||||||
## Available patches
|
|
||||||
|
|
||||||
* **disable_HDF5** disables all HDF5 output.
|
|
||||||
HDF5 output is an experimental feature. Also, some routines not present in HDF5 1.8.x are removed to allow compilation of DAMASK with HDF5 < 1.10.x
|
|
||||||
|
|
||||||
* **disable_old_output** disables all non-HDF5 output.
|
|
||||||
Saves some memory when using only HDF5 output
|
|
||||||
|
|
||||||
## Create patch
|
## Create patch
|
||||||
commit your changes
|
commit your changes
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -1,57 +0,0 @@
|
||||||
diff --git a/src/DAMASK_grid.f90 b/src/DAMASK_grid.f90
|
|
||||||
index 496bfd0d..7b0f499c 100644
|
|
||||||
--- a/src/DAMASK_grid.f90
|
|
||||||
+++ b/src/DAMASK_grid.f90
|
|
||||||
@@ -75,7 +75,6 @@ program DAMASK_spectral
|
|
||||||
use grid_mech_spectral_polarisation
|
|
||||||
use grid_damage_spectral
|
|
||||||
use grid_thermal_spectral
|
|
||||||
- use results
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
|
|
||||||
@@ -153,8 +152,6 @@ program DAMASK_spectral
|
|
||||||
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
|
||||||
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
|
|
||||||
|
|
||||||
- call results_openJobFile()
|
|
||||||
- call results_closeJobFile()
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! initialize field solver information
|
|
||||||
nActiveFields = 1
|
|
||||||
@@ -595,7 +592,6 @@ program DAMASK_spectral
|
|
||||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
|
|
||||||
enddo
|
|
||||||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
|
||||||
- call CPFEM_results(totalIncsCounter,time)
|
|
||||||
endif
|
|
||||||
if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
|
|
||||||
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
|
|
||||||
diff --git a/src/HDF5_utilities.f90 b/src/HDF5_utilities.f90
|
|
||||||
index a81aaee0..3d3cdee3 100644
|
|
||||||
--- a/src/HDF5_utilities.f90
|
|
||||||
+++ b/src/HDF5_utilities.f90
|
|
||||||
@@ -197,7 +197,6 @@ integer(HID_T) function HDF5_addGroup(fileHandle,groupName)
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
|
||||||
! setting I/O mode to collective
|
|
||||||
#ifdef PETSc
|
|
||||||
- call h5pset_all_coll_metadata_ops_f(aplist_id, .true., hdferr)
|
|
||||||
if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_addGroup: h5pset_all_coll_metadata_ops_f ('//trim(groupName)//')')
|
|
||||||
#endif
|
|
||||||
|
|
||||||
@@ -232,7 +231,6 @@ integer(HID_T) function HDF5_openGroup(fileHandle,groupName)
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
|
||||||
! setting I/O mode to collective
|
|
||||||
#ifdef PETSc
|
|
||||||
- call h5pget_all_coll_metadata_ops_f(aplist_id, is_collective, hdferr)
|
|
||||||
if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_openGroup: h5pset_all_coll_metadata_ops_f ('//trim(groupName)//')')
|
|
||||||
#endif
|
|
||||||
|
|
||||||
@@ -1646,7 +1644,6 @@ subroutine initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_
|
|
||||||
call h5pcreate_f(H5P_DATASET_ACCESS_F, aplist_id, hdferr)
|
|
||||||
if (hdferr < 0) call IO_error(1_pInt,ext_msg='initialize_read: h5pcreate_f')
|
|
||||||
#ifdef PETSc
|
|
||||||
- call h5pset_all_coll_metadata_ops_f(aplist_id, .true., hdferr)
|
|
||||||
if (hdferr < 0) call IO_error(1_pInt,ext_msg='initialize_read: h5pset_all_coll_metadata_ops_f')
|
|
||||||
#endif
|
|
||||||
|
|
||||||
|
|
@ -1,178 +0,0 @@
|
||||||
From 6dbd904a4cfc28add3c39bb2a4ec9e2dbb2442b6 Mon Sep 17 00:00:00 2001
|
|
||||||
From: Martin Diehl <m.diehl@mpie.de>
|
|
||||||
Date: Thu, 18 Apr 2019 18:25:32 +0200
|
|
||||||
Subject: [PATCH] to create patch
|
|
||||||
|
|
||||||
---
|
|
||||||
src/DAMASK_grid.f90 | 81 +-----------------------------------------
|
|
||||||
src/homogenization.f90 | 2 ++
|
|
||||||
2 files changed, 3 insertions(+), 80 deletions(-)
|
|
||||||
|
|
||||||
diff --git a/src/DAMASK_grid.f90 b/src/DAMASK_grid.f90
|
|
||||||
index f2f52bb2..a7543f4d 100644
|
|
||||||
--- a/src/DAMASK_grid.f90
|
|
||||||
+++ b/src/DAMASK_grid.f90
|
|
||||||
@@ -18,7 +18,6 @@ program DAMASK_spectral
|
|
||||||
use DAMASK_interface, only: &
|
|
||||||
DAMASK_interface_init, &
|
|
||||||
loadCaseFile, &
|
|
||||||
- geometryFile, &
|
|
||||||
getSolverJobName, &
|
|
||||||
interface_restartInc
|
|
||||||
use IO, only: &
|
|
||||||
@@ -49,14 +48,9 @@ program DAMASK_spectral
|
|
||||||
restartInc
|
|
||||||
use numerics, only: &
|
|
||||||
worldrank, &
|
|
||||||
- worldsize, &
|
|
||||||
stagItMax, &
|
|
||||||
maxCutBack, &
|
|
||||||
continueCalculation
|
|
||||||
- use homogenization, only: &
|
|
||||||
- materialpoint_sizeResults, &
|
|
||||||
- materialpoint_results, &
|
|
||||||
- materialpoint_postResults
|
|
||||||
use material, only: &
|
|
||||||
thermal_type, &
|
|
||||||
damage_type, &
|
|
||||||
@@ -131,12 +125,6 @@ program DAMASK_spectral
|
|
||||||
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
|
|
||||||
type(tLoadCase) :: newLoadCase
|
|
||||||
type(tSolutionState), allocatable, dimension(:) :: solres
|
|
||||||
- integer(MPI_OFFSET_KIND) :: fileOffset
|
|
||||||
- integer(MPI_OFFSET_KIND), dimension(:), allocatable :: outputSize
|
|
||||||
- integer(pInt), parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
|
|
||||||
- integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
|
|
||||||
- integer(pLongInt), dimension(2) :: outputIndex
|
|
||||||
- PetscErrorCode :: ierr
|
|
||||||
procedure(grid_mech_spectral_basic_init), pointer :: &
|
|
||||||
mech_init
|
|
||||||
procedure(grid_mech_spectral_basic_forward), pointer :: &
|
|
||||||
@@ -384,22 +372,6 @@ program DAMASK_spectral
|
|
||||||
! write header of output file
|
|
||||||
if (worldrank == 0) then
|
|
||||||
writeHeader: if (interface_restartInc < 1_pInt) then
|
|
||||||
- open(newunit=fileUnit,file=trim(getSolverJobName())//&
|
|
||||||
- '.spectralOut',form='UNFORMATTED',status='REPLACE')
|
|
||||||
- write(fileUnit) 'load:', trim(loadCaseFile) ! ... and write header
|
|
||||||
- write(fileUnit) 'workingdir:', 'n/a'
|
|
||||||
- write(fileUnit) 'geometry:', trim(geometryFile)
|
|
||||||
- write(fileUnit) 'grid:', grid
|
|
||||||
- write(fileUnit) 'size:', geomSize
|
|
||||||
- write(fileUnit) 'materialpoint_sizeResults:', materialpoint_sizeResults
|
|
||||||
- write(fileUnit) 'loadcases:', size(loadCases)
|
|
||||||
- write(fileUnit) 'frequencies:', loadCases%outputfrequency ! one entry per LoadCase
|
|
||||||
- write(fileUnit) 'times:', loadCases%time ! one entry per LoadCase
|
|
||||||
- write(fileUnit) 'logscales:', loadCases%logscale
|
|
||||||
- write(fileUnit) 'increments:', loadCases%incs ! one entry per LoadCase
|
|
||||||
- write(fileUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc
|
|
||||||
- write(fileUnit) 'eoh'
|
|
||||||
- close(fileUnit) ! end of header
|
|
||||||
open(newunit=statUnit,file=trim(getSolverJobName())//&
|
|
||||||
'.sta',form='FORMATTED',status='REPLACE')
|
|
||||||
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
|
|
||||||
@@ -412,39 +384,6 @@ program DAMASK_spectral
|
|
||||||
endif writeHeader
|
|
||||||
endif
|
|
||||||
|
|
||||||
-!--------------------------------------------------------------------------------------------------
|
|
||||||
-! prepare MPI parallel out (including opening of file)
|
|
||||||
- allocate(outputSize(worldsize), source = 0_MPI_OFFSET_KIND)
|
|
||||||
- outputSize(worldrank+1) = size(materialpoint_results,kind=MPI_OFFSET_KIND)*int(pReal,MPI_OFFSET_KIND)
|
|
||||||
- call MPI_allreduce(MPI_IN_PLACE,outputSize,worldsize,MPI_LONG,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get total output size over each process
|
|
||||||
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_allreduce')
|
|
||||||
- call MPI_file_open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.spectralOut', &
|
|
||||||
- MPI_MODE_WRONLY + MPI_MODE_APPEND, &
|
|
||||||
- MPI_INFO_NULL, &
|
|
||||||
- fileUnit, &
|
|
||||||
- ierr)
|
|
||||||
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_open')
|
|
||||||
- call MPI_file_get_position(fileUnit,fileOffset,ierr) ! get offset from header
|
|
||||||
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_get_position')
|
|
||||||
- fileOffset = fileOffset + sum(outputSize(1:worldrank)) ! offset of my process in file (header + processes before me)
|
|
||||||
- call MPI_file_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr)
|
|
||||||
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek')
|
|
||||||
-
|
|
||||||
- writeUndeformed: if (interface_restartInc < 1_pInt) then
|
|
||||||
- write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
|
|
||||||
- call CPFEM_results(0_pInt,0.0_pReal)
|
|
||||||
- do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
|
||||||
- outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?
|
|
||||||
- min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
|
||||||
- call MPI_file_write(fileUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
|
|
||||||
- [(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
|
|
||||||
- int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)), &
|
|
||||||
- MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
|
|
||||||
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
|
|
||||||
- enddo
|
|
||||||
- fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
|
||||||
- endif writeUndeformed
|
|
||||||
-
|
|
||||||
|
|
||||||
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
|
|
||||||
time0 = time ! load case start time
|
|
||||||
@@ -574,7 +513,6 @@ program DAMASK_spectral
|
|
||||||
write(6,'(/,a)') ' cutting back '
|
|
||||||
else ! no more options to continue
|
|
||||||
call IO_warning(850_pInt)
|
|
||||||
- call MPI_file_close(fileUnit,ierr)
|
|
||||||
close(statUnit)
|
|
||||||
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
|
|
||||||
endif
|
|
||||||
@@ -593,24 +531,8 @@ program DAMASK_spectral
|
|
||||||
' increment ', totalIncsCounter, ' NOT converged'
|
|
||||||
endif; flush(6)
|
|
||||||
|
|
||||||
- if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
|
||||||
- write(6,'(1/,a)') ' ... writing results to file ......................................'
|
|
||||||
- flush(6)
|
|
||||||
- call materialpoint_postResults()
|
|
||||||
- call MPI_file_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr)
|
|
||||||
- if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
|
|
||||||
- do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
|
||||||
- outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
|
|
||||||
- min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
|
||||||
- call MPI_file_write(fileUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
|
|
||||||
- [(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
|
|
||||||
- int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)),&
|
|
||||||
- MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
|
|
||||||
- if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
|
|
||||||
- enddo
|
|
||||||
- fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
|
||||||
+ if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) & ! at output frequency
|
|
||||||
call CPFEM_results(totalIncsCounter,time)
|
|
||||||
- endif
|
|
||||||
if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
|
|
||||||
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
|
|
||||||
restartWrite = .true. ! set restart parameter for FEsolving
|
|
||||||
@@ -633,7 +555,6 @@ program DAMASK_spectral
|
|
||||||
real(convergedCounter, pReal)/&
|
|
||||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, ' %) increments converged!'
|
|
||||||
flush(6)
|
|
||||||
- call MPI_file_close(fileUnit,ierr)
|
|
||||||
close(statUnit)
|
|
||||||
|
|
||||||
if (notConvergedCounter > 0_pInt) call quit(2_pInt) ! error if some are not converged
|
|
||||||
diff --git a/src/homogenization.f90 b/src/homogenization.f90
|
|
||||||
index 06da6ab2..0743d545 100644
|
|
||||||
--- a/src/homogenization.f90
|
|
||||||
+++ b/src/homogenization.f90
|
|
||||||
@@ -269,6 +269,7 @@ subroutine homogenization_init
|
|
||||||
+ homogenization_maxNgrains * (1 + crystallite_maxSizePostResults & ! crystallite size & crystallite results
|
|
||||||
+ 1 + constitutive_plasticity_maxSizePostResults & ! constitutive size & constitutive results
|
|
||||||
+ constitutive_source_maxSizePostResults)
|
|
||||||
+ materialpoint_sizeResults = 0
|
|
||||||
allocate(materialpoint_results(materialpoint_sizeResults,theMesh%elem%nIPs,theMesh%nElems))
|
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
|
|
||||||
@@ -682,6 +683,7 @@ subroutine materialpoint_postResults
|
|
||||||
i, & !< integration point number
|
|
||||||
e !< element number
|
|
||||||
|
|
||||||
+ return
|
|
||||||
!$OMP PARALLEL DO PRIVATE(myNgrains,myCrystallite,thePos,theSize)
|
|
||||||
elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
||||||
myNgrains = homogenization_Ngrains(mesh_element(3,e))
|
|
||||||
--
|
|
||||||
2.21.0
|
|
||||||
|
|
||||||
|
|
@ -1,8 +0,0 @@
|
||||||
#! /usr/bin/env bash
|
|
||||||
if [ $1x != 3to2x ]; then
|
|
||||||
echo 'python2.7 to python3'
|
|
||||||
find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python2.7/usr\/bin\/env python3/g'
|
|
||||||
else
|
|
||||||
echo 'python3 to python2.7'
|
|
||||||
find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python3/usr\/bin\/env python2.7/g'
|
|
||||||
fi
|
|
||||||
|
|
@ -1,8 +1,10 @@
|
||||||
#!/usr/bin/env python2.7
|
#!/usr/bin/env python3
|
||||||
# -*- coding: UTF-8 no BOM -*-
|
|
||||||
|
|
||||||
import os
|
import os
|
||||||
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
|
|
@ -19,47 +21,10 @@ Convert TSL/EDAX *.ang file to ASCIItable
|
||||||
""", version = scriptID)
|
""", version = scriptID)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
damask.util.report(scriptName,name)
|
||||||
table = damask.ASCIItable(name = name,
|
|
||||||
outname = os.path.splitext(name)[0]+'.txt' if name else name,
|
|
||||||
buffered = False, labeled = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# --- interpret header -----------------------------------------------------------------------------
|
table = damask.Table.from_ang(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
table.to_ASCII(sys.stdout if name is None else os.path.splitext(name)[0]+'.txt')
|
||||||
table.head_read()
|
|
||||||
|
|
||||||
# --- read comments --------------------------------------------------------------------------------
|
|
||||||
|
|
||||||
table.info_clear()
|
|
||||||
while table.data_read(advance = False) and table.line.startswith('#'): # cautiously (non-progressing) read header
|
|
||||||
table.info_append(table.line) # add comment to info part
|
|
||||||
table.data_read() # wind forward
|
|
||||||
|
|
||||||
table.labels_clear()
|
|
||||||
table.labels_append(['1_Euler','2_Euler','3_Euler',
|
|
||||||
'1_pos','2_pos',
|
|
||||||
'IQ','CI','PhaseID','Intensity','Fit',
|
|
||||||
], # OIM Analysis 7.2 Manual, p 403 (of 517)
|
|
||||||
reset = True)
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
|
||||||
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
#--- write remainder of data file ------------------------------------------------------------------
|
|
||||||
|
|
||||||
outputAlive = True
|
|
||||||
while outputAlive and table.data_read():
|
|
||||||
outputAlive = table.data_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ finalize output ---------------------------------------
|
|
||||||
|
|
||||||
table.close()
|
|
||||||
|
|
|
||||||
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
|
@ -39,61 +39,36 @@ for filename in options.filenames:
|
||||||
results = damask.DADF5(filename)
|
results = damask.DADF5(filename)
|
||||||
|
|
||||||
if not results.structured: continue
|
if not results.structured: continue
|
||||||
delta = results.size/results.grid*0.5
|
if results.version_major == 0 and results.version_minor >= 5:
|
||||||
x, y, z = np.meshgrid(np.linspace(delta[2],results.size[2]-delta[2],results.grid[2]),
|
coords = damask.grid_filters.cell_coord0(results.grid,results.size,results.origin)
|
||||||
np.linspace(delta[1],results.size[1]-delta[1],results.grid[1]),
|
else:
|
||||||
np.linspace(delta[0],results.size[0]-delta[0],results.grid[0]),
|
coords = damask.grid_filters.cell_coord0(results.grid,results.size)
|
||||||
indexing = 'ij')
|
|
||||||
|
|
||||||
coords = np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3)
|
|
||||||
|
|
||||||
N_digits = int(np.floor(np.log10(int(results.increments[-1][3:]))))+1
|
N_digits = int(np.floor(np.log10(int(results.increments[-1][3:]))))+1
|
||||||
N_digits = 5 # hack to keep test intact
|
N_digits = 5 # hack to keep test intact
|
||||||
for i,inc in enumerate(results.iter_visible('increments')):
|
for i,inc in enumerate(results.iter_visible('increments')):
|
||||||
print('Output step {}/{}'.format(i+1,len(results.increments)))
|
print('Output step {}/{}'.format(i+1,len(results.increments)))
|
||||||
|
|
||||||
header = '1 header\n'
|
table = damask.Table(np.ones(np.product(results.grid),dtype=int)*int(inc[3:]),{'inc':(1,)})
|
||||||
|
table.add('pos',coords.reshape((-1,3)))
|
||||||
data = np.array([int(inc[3:]) for j in range(np.product(results.grid))]).reshape([np.product(results.grid),1])
|
|
||||||
header+= 'inc'
|
|
||||||
|
|
||||||
coords = coords.reshape([np.product(results.grid),3])
|
|
||||||
data = np.concatenate((data,coords),1)
|
|
||||||
header+=' 1_pos 2_pos 3_pos'
|
|
||||||
|
|
||||||
results.set_visible('materialpoints',False)
|
results.set_visible('materialpoints',False)
|
||||||
results.set_visible('constituents', True)
|
results.set_visible('constituents', True)
|
||||||
for label in options.con:
|
for label in options.con:
|
||||||
x = results.get_dataset_location(label)
|
x = results.get_dataset_location(label)
|
||||||
if len(x) == 0:
|
if len(x) != 0:
|
||||||
continue
|
table.add(label,results.read_dataset(x,0,plain=True).reshape((results.grid.prod(),-1)))
|
||||||
array = results.read_dataset(x,0,plain=True)
|
|
||||||
d = np.product(np.shape(array)[1:])
|
|
||||||
data = np.concatenate((data,np.reshape(array,[np.product(results.grid),d])),1)
|
|
||||||
|
|
||||||
if d>1:
|
|
||||||
header+= ''.join([' {}_{}'.format(j+1,label) for j in range(d)])
|
|
||||||
else:
|
|
||||||
header+=' '+label
|
|
||||||
|
|
||||||
results.set_visible('constituents', False)
|
results.set_visible('constituents', False)
|
||||||
results.set_visible('materialpoints',True)
|
results.set_visible('materialpoints',True)
|
||||||
for label in options.mat:
|
for label in options.mat:
|
||||||
x = results.get_dataset_location(label)
|
x = results.get_dataset_location(label)
|
||||||
if len(x) == 0:
|
if len(x) != 0:
|
||||||
continue
|
table.add(label,results.read_dataset(x,0,plain=True).reshape((results.grid.prod(),-1)))
|
||||||
array = results.read_dataset(x,0,plain=True)
|
|
||||||
d = np.product(np.shape(array)[1:])
|
|
||||||
data = np.concatenate((data,np.reshape(array,[np.product(results.grid),d])),1)
|
|
||||||
|
|
||||||
if d>1:
|
|
||||||
header+= ''.join([' {}_{}'.format(j+1,label) for j in range(d)])
|
|
||||||
else:
|
|
||||||
header+=' '+label
|
|
||||||
|
|
||||||
dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
|
dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
|
||||||
if not os.path.isdir(dirname):
|
if not os.path.isdir(dirname):
|
||||||
os.mkdir(dirname,0o755)
|
os.mkdir(dirname,0o755)
|
||||||
file_out = '{}_inc{}.txt'.format(os.path.splitext(os.path.split(filename)[-1])[0],
|
file_out = '{}_inc{}.txt'.format(os.path.splitext(os.path.split(filename)[-1])[0],
|
||||||
inc[3:].zfill(N_digits))
|
inc[3:].zfill(N_digits))
|
||||||
np.savetxt(os.path.join(dirname,file_out),data,header=header,comments='')
|
table.to_ASCII(os.path.join(dirname,file_out))
|
||||||
|
|
|
||||||
|
|
@ -1,144 +0,0 @@
|
||||||
#!/usr/bin/env python3
|
|
||||||
|
|
||||||
import os
|
|
||||||
import argparse
|
|
||||||
|
|
||||||
import h5py
|
|
||||||
import numpy as np
|
|
||||||
import vtk
|
|
||||||
from vtk.util import numpy_support
|
|
||||||
|
|
||||||
import damask
|
|
||||||
|
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
|
||||||
|
|
||||||
# --------------------------------------------------------------------
|
|
||||||
# MAIN
|
|
||||||
# --------------------------------------------------------------------
|
|
||||||
parser = argparse.ArgumentParser()
|
|
||||||
|
|
||||||
#ToDo: We need to decide on a way of handling arguments of variable lentght
|
|
||||||
#https://stackoverflow.com/questions/15459997/passing-integer-lists-to-python
|
|
||||||
|
|
||||||
#parser.add_argument('--version', action='version', version='%(prog)s {}'.format(scriptID))
|
|
||||||
parser.add_argument('filenames', nargs='+',
|
|
||||||
help='DADF5 files')
|
|
||||||
parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
|
|
||||||
help='name of subdirectory relative to the location of the DADF5 file to hold output')
|
|
||||||
parser.add_argument('--mat', nargs='+',
|
|
||||||
help='labels for materialpoint',dest='mat')
|
|
||||||
parser.add_argument('--con', nargs='+',
|
|
||||||
help='labels for constituent',dest='con')
|
|
||||||
|
|
||||||
options = parser.parse_args()
|
|
||||||
|
|
||||||
if options.mat is None: options.mat=[]
|
|
||||||
if options.con is None: options.con=[]
|
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
|
||||||
|
|
||||||
for filename in options.filenames:
|
|
||||||
results = damask.DADF5(filename)
|
|
||||||
|
|
||||||
if results.structured: # for grid solvers use rectilinear grid
|
|
||||||
grid = vtk.vtkRectilinearGrid()
|
|
||||||
coordArray = [vtk.vtkDoubleArray(),
|
|
||||||
vtk.vtkDoubleArray(),
|
|
||||||
vtk.vtkDoubleArray(),
|
|
||||||
]
|
|
||||||
|
|
||||||
grid.SetDimensions(*(results.grid+1))
|
|
||||||
for dim in [0,1,2]:
|
|
||||||
for c in np.linspace(0,results.size[dim],1+results.grid[dim]):
|
|
||||||
coordArray[dim].InsertNextValue(c)
|
|
||||||
|
|
||||||
grid.SetXCoordinates(coordArray[0])
|
|
||||||
grid.SetYCoordinates(coordArray[1])
|
|
||||||
grid.SetZCoordinates(coordArray[2])
|
|
||||||
else:
|
|
||||||
nodes = vtk.vtkPoints()
|
|
||||||
with h5py.File(filename) as f:
|
|
||||||
nodes.SetData(numpy_support.numpy_to_vtk(f['/geometry/x_n'][()],deep=True))
|
|
||||||
grid = vtk.vtkUnstructuredGrid()
|
|
||||||
grid.SetPoints(nodes)
|
|
||||||
grid.Allocate(f['/geometry/T_c'].shape[0])
|
|
||||||
for i in f['/geometry/T_c']:
|
|
||||||
grid.InsertNextCell(vtk.VTK_HEXAHEDRON,8,i-1)
|
|
||||||
|
|
||||||
N_digits = int(np.floor(np.log10(int(results.increments[-1][3:]))))+1
|
|
||||||
for i,inc in enumerate(results.iter_visible('increments')):
|
|
||||||
print('Output step {}/{}'.format(i+1,len(results.increments)))
|
|
||||||
vtk_data = []
|
|
||||||
|
|
||||||
results.set_visible('materialpoints',False)
|
|
||||||
results.set_visible('constituents', True)
|
|
||||||
for label in options.con:
|
|
||||||
for p in results.iter_visible('con_physics'):
|
|
||||||
if p != 'generic':
|
|
||||||
for c in results.iter_visible('constituents'):
|
|
||||||
x = results.get_dataset_location(label)
|
|
||||||
if len(x) == 0:
|
|
||||||
continue
|
|
||||||
array = results.read_dataset(x,0)
|
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
|
||||||
grid.GetCellData().AddArray(vtk_data[-1])
|
|
||||||
else:
|
|
||||||
x = results.get_dataset_location(label)
|
|
||||||
if len(x) == 0:
|
|
||||||
continue
|
|
||||||
array = results.read_dataset(x,0)
|
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
|
||||||
grid.GetCellData().AddArray(vtk_data[-1])
|
|
||||||
|
|
||||||
results.set_visible('constituents', False)
|
|
||||||
results.set_visible('materialpoints',True)
|
|
||||||
for label in options.mat:
|
|
||||||
for p in results.iter_visible('mat_physics'):
|
|
||||||
if p != 'generic':
|
|
||||||
for m in results.iter_visible('materialpoints'):
|
|
||||||
x = results.get_dataset_location(label)
|
|
||||||
if len(x) == 0:
|
|
||||||
continue
|
|
||||||
array = results.read_dataset(x,0)
|
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
|
||||||
grid.GetCellData().AddArray(vtk_data[-1])
|
|
||||||
else:
|
|
||||||
x = results.get_dataset_location(label)
|
|
||||||
if len(x) == 0:
|
|
||||||
continue
|
|
||||||
array = results.read_dataset(x,0)
|
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
|
||||||
grid.GetCellData().AddArray(vtk_data[-1])
|
|
||||||
|
|
||||||
writer = vtk.vtkXMLRectilinearGridWriter() if results.structured else \
|
|
||||||
vtk.vtkXMLUnstructuredGridWriter()
|
|
||||||
|
|
||||||
results.set_visible('constituents', False)
|
|
||||||
results.set_visible('materialpoints',False)
|
|
||||||
x = results.get_dataset_location('u_n')
|
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=results.read_dataset(x,0),deep=True,array_type=vtk.VTK_DOUBLE))
|
|
||||||
vtk_data[-1].SetName('u')
|
|
||||||
grid.GetPointData().AddArray(vtk_data[-1])
|
|
||||||
|
|
||||||
dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
|
|
||||||
if not os.path.isdir(dirname):
|
|
||||||
os.mkdir(dirname,0o755)
|
|
||||||
file_out = '{}_inc{}.{}'.format(os.path.splitext(os.path.split(filename)[-1])[0],
|
|
||||||
inc[3:].zfill(N_digits),
|
|
||||||
writer.GetDefaultFileExtension())
|
|
||||||
|
|
||||||
writer.SetCompressorTypeToZLib()
|
|
||||||
writer.SetDataModeToBinary()
|
|
||||||
writer.SetFileName(os.path.join(dirname,file_out))
|
|
||||||
writer.SetInputData(grid)
|
|
||||||
|
|
||||||
writer.Write()
|
|
||||||
|
|
@ -1,124 +0,0 @@
|
||||||
#!/usr/bin/env python3
|
|
||||||
|
|
||||||
import os
|
|
||||||
import argparse
|
|
||||||
|
|
||||||
import numpy as np
|
|
||||||
import vtk
|
|
||||||
from vtk.util import numpy_support
|
|
||||||
|
|
||||||
import damask
|
|
||||||
|
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
|
||||||
|
|
||||||
# --------------------------------------------------------------------
|
|
||||||
# MAIN
|
|
||||||
# --------------------------------------------------------------------
|
|
||||||
parser = argparse.ArgumentParser()
|
|
||||||
|
|
||||||
#ToDo: We need to decide on a way of handling arguments of variable lentght
|
|
||||||
#https://stackoverflow.com/questions/15459997/passing-integer-lists-to-python
|
|
||||||
|
|
||||||
#parser.add_argument('--version', action='version', version='%(prog)s {}'.format(scriptID))
|
|
||||||
parser.add_argument('filenames', nargs='+',
|
|
||||||
help='DADF5 files')
|
|
||||||
parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
|
|
||||||
help='name of subdirectory relative to the location of the DADF5 file to hold output')
|
|
||||||
parser.add_argument('--mat', nargs='+',
|
|
||||||
help='labels for materialpoint',dest='mat')
|
|
||||||
parser.add_argument('--con', nargs='+',
|
|
||||||
help='labels for constituent',dest='con')
|
|
||||||
|
|
||||||
options = parser.parse_args()
|
|
||||||
|
|
||||||
if options.mat is None: options.mat=[]
|
|
||||||
if options.con is None: options.con=[]
|
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
|
||||||
|
|
||||||
for filename in options.filenames:
|
|
||||||
results = damask.DADF5(filename)
|
|
||||||
|
|
||||||
Points = vtk.vtkPoints()
|
|
||||||
Vertices = vtk.vtkCellArray()
|
|
||||||
for c in results.cell_coordinates():
|
|
||||||
pointID = Points.InsertNextPoint(c)
|
|
||||||
Vertices.InsertNextCell(1)
|
|
||||||
Vertices.InsertCellPoint(pointID)
|
|
||||||
|
|
||||||
Polydata = vtk.vtkPolyData()
|
|
||||||
Polydata.SetPoints(Points)
|
|
||||||
Polydata.SetVerts(Vertices)
|
|
||||||
Polydata.Modified()
|
|
||||||
|
|
||||||
N_digits = int(np.floor(np.log10(int(results.increments[-1][3:]))))+1
|
|
||||||
for i,inc in enumerate(results.iter_visible('increments')):
|
|
||||||
print('Output step {}/{}'.format(i+1,len(results.increments)))
|
|
||||||
vtk_data = []
|
|
||||||
|
|
||||||
results.set_visible('materialpoints',False)
|
|
||||||
results.set_visible('constituents', True)
|
|
||||||
for label in options.con:
|
|
||||||
|
|
||||||
for p in results.iter_visible('con_physics'):
|
|
||||||
if p != 'generic':
|
|
||||||
for c in results.iter_visible('constituents'):
|
|
||||||
x = results.get_dataset_location(label)
|
|
||||||
if len(x) == 0:
|
|
||||||
continue
|
|
||||||
array = results.read_dataset(x,0)
|
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
|
||||||
Polydata.GetCellData().AddArray(vtk_data[-1])
|
|
||||||
else:
|
|
||||||
x = results.get_dataset_location(label)
|
|
||||||
if len(x) == 0:
|
|
||||||
continue
|
|
||||||
array = results.read_dataset(x,0)
|
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
|
||||||
Polydata.GetCellData().AddArray(vtk_data[-1])
|
|
||||||
|
|
||||||
results.set_visible('constituents', False)
|
|
||||||
results.set_visible('materialpoints',True)
|
|
||||||
for label in options.mat:
|
|
||||||
for p in results.iter_visible('mat_physics'):
|
|
||||||
if p != 'generic':
|
|
||||||
for m in results.iter_visible('materialpoints'):
|
|
||||||
x = results.get_dataset_location(label)
|
|
||||||
if len(x) == 0:
|
|
||||||
continue
|
|
||||||
array = results.read_dataset(x,0)
|
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
|
||||||
Polydata.GetCellData().AddArray(vtk_data[-1])
|
|
||||||
else:
|
|
||||||
x = results.get_dataset_location(label)
|
|
||||||
if len(x) == 0:
|
|
||||||
continue
|
|
||||||
array = results.read_dataset(x,0)
|
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
|
||||||
Polydata.GetCellData().AddArray(vtk_data[-1])
|
|
||||||
|
|
||||||
writer = vtk.vtkXMLPolyDataWriter()
|
|
||||||
|
|
||||||
|
|
||||||
dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
|
|
||||||
if not os.path.isdir(dirname):
|
|
||||||
os.mkdir(dirname,0o755)
|
|
||||||
file_out = '{}_inc{}.{}'.format(os.path.splitext(os.path.split(filename)[-1])[0],
|
|
||||||
inc[3:].zfill(N_digits),
|
|
||||||
writer.GetDefaultFileExtension())
|
|
||||||
|
|
||||||
writer.SetCompressorTypeToZLib()
|
|
||||||
writer.SetDataModeToBinary()
|
|
||||||
writer.SetFileName(os.path.join(dirname,file_out))
|
|
||||||
writer.SetInputData(Polydata)
|
|
||||||
|
|
||||||
writer.Write()
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
@ -24,61 +25,33 @@ Transform X,Y,Z,F APS BeamLine 34 coordinates to x,y,z APS strain coordinates.
|
||||||
|
|
||||||
parser.add_option('-f','--frame',dest='frame', metavar='string',
|
parser.add_option('-f','--frame',dest='frame', metavar='string',
|
||||||
help='label of APS X,Y,Z coords')
|
help='label of APS X,Y,Z coords')
|
||||||
parser.add_option('--depth', dest='depth', metavar='string',
|
parser.add_option('--depth', dest='depth', metavar='string',
|
||||||
help='depth')
|
help='depth')
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
if options.frame is None:
|
if options.frame is None:
|
||||||
parser.error('frame not specified')
|
parser.error('frame not specified')
|
||||||
if options.depth is None:
|
if options.depth is None:
|
||||||
parser.error('depth not specified')
|
parser.error('depth not specified')
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
theta=-0.75*np.pi
|
||||||
|
RotMat2TSL=np.array([[1., 0., 0.],
|
||||||
|
[0., np.cos(theta), np.sin(theta)], # Orientation to account for -135 deg
|
||||||
|
[0., -np.sin(theta), np.cos(theta)]]) # rotation for TSL convention
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
damask.util.report(scriptName,name)
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
|
||||||
table.head_read()
|
coord = - table.get(options.frame)
|
||||||
|
coord[:,2] += table.get(options.depth)[:,0]
|
||||||
|
|
||||||
# ------------------------------------------ sanity checks -----------------------------------------
|
table.add('coord',
|
||||||
errors = []
|
np.einsum('ijk,ik->ij',np.broadcast_to(RotMat2TSL,(coord.shape[0],3,3)),coord),
|
||||||
if table.label_dimension(options.frame) != 3:
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
errors.append('input {} does not have dimension 3.'.format(options.frame))
|
|
||||||
if table.label_dimension(options.depth) != 1:
|
|
||||||
errors.append('input {} does not have dimension 1.'.format(options.depth))
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
|
||||||
table.labels_append(['%i_coord'%(i+1) for i in range(3)]) # extend ASCII header with new labels
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
|
||||||
theta=-0.75*np.pi
|
|
||||||
RotMat2TSL=np.array([[1., 0., 0.],
|
|
||||||
[0., np.cos(theta), np.sin(theta)], # Orientation to account for -135 deg
|
|
||||||
[0., -np.sin(theta), np.cos(theta)]]) # rotation for TSL convention
|
|
||||||
outputAlive = True
|
|
||||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
|
||||||
coord = list(map(float,table.data[table.label_index(options.frame):table.label_index(options.frame)+3]))
|
|
||||||
depth = float(table.data[table.label_index(options.depth)])
|
|
||||||
|
|
||||||
table.data_append(np.dot(RotMat2TSL,np.array([-coord[0],-coord[1],-coord[2]+depth])))
|
|
||||||
|
|
||||||
outputAlive = table.data_write() # output processed line
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
|
|
|
||||||
|
|
@ -4,7 +4,7 @@ import os
|
||||||
import sys
|
import sys
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
import re
|
import re
|
||||||
import collections
|
from collections.abc import Iterable
|
||||||
import math # noqa
|
import math # noqa
|
||||||
|
|
||||||
import scipy # noqa
|
import scipy # noqa
|
||||||
|
|
@ -18,7 +18,7 @@ scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
def listify(x):
|
def listify(x):
|
||||||
return x if isinstance(x, collections.Iterable) else [x]
|
return x if isinstance(x, Iterable) else [x]
|
||||||
|
|
||||||
|
|
||||||
# --------------------------------------------------------------------
|
# --------------------------------------------------------------------
|
||||||
|
|
@ -65,9 +65,10 @@ for i in range(len(options.formulas)):
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
try:
|
||||||
buffered = False)
|
table = damask.ASCIItable(name = name, buffered = False)
|
||||||
except: continue
|
except IOError:
|
||||||
|
continue
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
# ------------------------------------------ read header -------------------------------------------
|
# ------------------------------------------ read header -------------------------------------------
|
||||||
|
|
|
||||||
|
|
@ -1,11 +1,11 @@
|
||||||
#!/usr/bin/env python3
|
#!/usr/bin/env python3
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import math
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
import scipy.ndimage
|
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
||||||
|
|
@ -13,78 +13,6 @@ import damask
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
#--------------------------------------------------------------------------------------------------
|
|
||||||
def cell2node(cellData,grid):
|
|
||||||
|
|
||||||
nodeData = 0.0
|
|
||||||
datalen = np.array(cellData.shape[3:]).prod()
|
|
||||||
|
|
||||||
for i in range(datalen):
|
|
||||||
node = scipy.ndimage.convolve(cellData.reshape(tuple(grid[::-1])+(datalen,))[...,i],
|
|
||||||
np.ones((2,2,2))/8., # 2x2x2 neighborhood of cells
|
|
||||||
mode = 'wrap',
|
|
||||||
origin = -1, # offset to have cell origin as center
|
|
||||||
) # now averaged at cell origins
|
|
||||||
node = np.append(node,node[np.newaxis,0,:,:,...],axis=0) # wrap along z
|
|
||||||
node = np.append(node,node[:,0,np.newaxis,:,...],axis=1) # wrap along y
|
|
||||||
node = np.append(node,node[:,:,0,np.newaxis,...],axis=2) # wrap along x
|
|
||||||
|
|
||||||
nodeData = node[...,np.newaxis] if i==0 else np.concatenate((nodeData,node[...,np.newaxis]),axis=-1)
|
|
||||||
|
|
||||||
return nodeData
|
|
||||||
|
|
||||||
#--------------------------------------------------------------------------------------------------
|
|
||||||
def deformationAvgFFT(F,grid,size,nodal=False,transformed=False):
|
|
||||||
"""Calculate average cell center (or nodal) deformation for deformation gradient field specified in each grid cell"""
|
|
||||||
if nodal:
|
|
||||||
x, y, z = np.meshgrid(np.linspace(0,size[2],1+grid[2]),
|
|
||||||
np.linspace(0,size[1],1+grid[1]),
|
|
||||||
np.linspace(0,size[0],1+grid[0]),
|
|
||||||
indexing = 'ij')
|
|
||||||
else:
|
|
||||||
x, y, z = np.meshgrid(np.linspace(size[2]/grid[2]/2.,size[2]-size[2]/grid[2]/2.,grid[2]),
|
|
||||||
np.linspace(size[1]/grid[1]/2.,size[1]-size[1]/grid[1]/2.,grid[1]),
|
|
||||||
np.linspace(size[0]/grid[0]/2.,size[0]-size[0]/grid[0]/2.,grid[0]),
|
|
||||||
indexing = 'ij')
|
|
||||||
|
|
||||||
origCoords = np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3)
|
|
||||||
|
|
||||||
F_fourier = F if transformed else np.fft.rfftn(F,axes=(0,1,2)) # transform or use provided data
|
|
||||||
Favg = np.real(F_fourier[0,0,0,:,:])/grid.prod() # take zero freq for average
|
|
||||||
avgDeformation = np.einsum('ml,ijkl->ijkm',Favg,origCoords) # dX = Favg.X
|
|
||||||
|
|
||||||
return avgDeformation
|
|
||||||
|
|
||||||
#--------------------------------------------------------------------------------------------------
|
|
||||||
def displacementFluctFFT(F,grid,size,nodal=False,transformed=False):
|
|
||||||
"""Calculate cell center (or nodal) displacement for deformation gradient field specified in each grid cell"""
|
|
||||||
integrator = 0.5j * size / math.pi
|
|
||||||
|
|
||||||
kk, kj, ki = np.meshgrid(np.where(np.arange(grid[2])>grid[2]//2,np.arange(grid[2])-grid[2],np.arange(grid[2])),
|
|
||||||
np.where(np.arange(grid[1])>grid[1]//2,np.arange(grid[1])-grid[1],np.arange(grid[1])),
|
|
||||||
np.arange(grid[0]//2+1),
|
|
||||||
indexing = 'ij')
|
|
||||||
k_s = np.concatenate((ki[:,:,:,None],kj[:,:,:,None],kk[:,:,:,None]),axis = 3)
|
|
||||||
k_sSquared = np.einsum('...l,...l',k_s,k_s)
|
|
||||||
k_sSquared[0,0,0] = 1.0 # ignore global average frequency
|
|
||||||
|
|
||||||
#--------------------------------------------------------------------------------------------------
|
|
||||||
# integration in Fourier space
|
|
||||||
|
|
||||||
displacement_fourier = -np.einsum('ijkml,ijkl,l->ijkm',
|
|
||||||
F if transformed else np.fft.rfftn(F,axes=(0,1,2)),
|
|
||||||
k_s,
|
|
||||||
integrator,
|
|
||||||
) / k_sSquared[...,np.newaxis]
|
|
||||||
|
|
||||||
#--------------------------------------------------------------------------------------------------
|
|
||||||
# backtransformation to real space
|
|
||||||
|
|
||||||
displacement = np.fft.irfftn(displacement_fourier,grid[::-1],axes=(0,1,2))
|
|
||||||
|
|
||||||
return cell2node(displacement,grid) if nodal else displacement
|
|
||||||
|
|
||||||
|
|
||||||
def volTetrahedron(coords):
|
def volTetrahedron(coords):
|
||||||
"""
|
"""
|
||||||
Return the volume of the tetrahedron with given vertices or sides.
|
Return the volume of the tetrahedron with given vertices or sides.
|
||||||
|
|
@ -133,10 +61,10 @@ def volTetrahedron(coords):
|
||||||
|
|
||||||
def volumeMismatch(size,F,nodes):
|
def volumeMismatch(size,F,nodes):
|
||||||
"""
|
"""
|
||||||
Calculates the volume mismatch
|
Calculates the volume mismatch.
|
||||||
|
|
||||||
volume mismatch is defined as the difference between volume of reconstructed
|
volume mismatch is defined as the difference between volume of reconstructed
|
||||||
(compatible) cube and determinant of defgrad at the FP
|
(compatible) cube and determinant of deformation gradient at Fourier point.
|
||||||
"""
|
"""
|
||||||
coords = np.empty([8,3])
|
coords = np.empty([8,3])
|
||||||
vMismatch = np.empty(grid[::-1])
|
vMismatch = np.empty(grid[::-1])
|
||||||
|
|
@ -169,11 +97,11 @@ def volumeMismatch(size,F,nodes):
|
||||||
|
|
||||||
def shapeMismatch(size,F,nodes,centres):
|
def shapeMismatch(size,F,nodes,centres):
|
||||||
"""
|
"""
|
||||||
Routine to calculate the shape mismatch
|
Routine to calculate the shape mismatch.
|
||||||
|
|
||||||
shape mismatch is defined as difference between the vectors from the central point to
|
shape mismatch is defined as difference between the vectors from the central point to
|
||||||
the corners of reconstructed (combatible) volume element and the vectors calculated by deforming
|
the corners of reconstructed (combatible) volume element and the vectors calculated by deforming
|
||||||
the initial volume element with the current deformation gradient
|
the initial volume element with the current deformation gradient.
|
||||||
"""
|
"""
|
||||||
coordsInitial = np.empty([8,3])
|
coordsInitial = np.empty([8,3])
|
||||||
sMismatch = np.empty(grid[::-1])
|
sMismatch = np.empty(grid[::-1])
|
||||||
|
|
@ -241,92 +169,29 @@ parser.set_defaults(pos = 'pos',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
|
||||||
table = damask.ASCIItable(name = name,
|
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
|
||||||
|
|
||||||
table.head_read()
|
F = table.get(options.defgrad).reshape(grid[2],grid[1],grid[0],3,3)
|
||||||
|
nodes = damask.grid_filters.node_coord(size,F)
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
|
||||||
|
|
||||||
errors = []
|
|
||||||
remarks = []
|
|
||||||
|
|
||||||
if table.label_dimension(options.defgrad) != 9:
|
|
||||||
errors.append('deformation gradient "{}" is not a 3x3 tensor.'.format(options.defgrad))
|
|
||||||
|
|
||||||
coordDim = table.label_dimension(options.pos)
|
|
||||||
if not 3 >= coordDim >= 1:
|
|
||||||
errors.append('coordinates "{}" need to have one, two, or three dimensions.'.format(options.pos))
|
|
||||||
elif coordDim < 3:
|
|
||||||
remarks.append('appending {} dimension{} to coordinates "{}"...'.format(3-coordDim,
|
|
||||||
's' if coordDim < 2 else '',
|
|
||||||
options.pos))
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss=True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray([options.defgrad,options.pos])
|
|
||||||
table.data_rewind()
|
|
||||||
|
|
||||||
if table.data[:,9:].shape[1] < 3:
|
|
||||||
table.data = np.hstack((table.data,
|
|
||||||
np.zeros((table.data.shape[0],
|
|
||||||
3-table.data[:,9:].shape[1]),dtype='f'))) # fill coords up to 3D with zeros
|
|
||||||
|
|
||||||
grid,size = damask.util.coordGridAndSize(table.data[:,9:12])
|
|
||||||
N = grid.prod()
|
|
||||||
|
|
||||||
if N != len(table.data): errors.append('data count {} does not match grid {}x{}x{}.'.format(N,*grid))
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# -----------------------------process data and assemble header -------------------------------------
|
|
||||||
|
|
||||||
F_fourier = np.fft.rfftn(table.data[:,:9].reshape(grid[2],grid[1],grid[0],3,3),axes=(0,1,2)) # perform transform only once...
|
|
||||||
nodes = displacementFluctFFT(F_fourier,grid,size,True,transformed=True)\
|
|
||||||
+ deformationAvgFFT (F_fourier,grid,size,True,transformed=True)
|
|
||||||
|
|
||||||
if options.shape:
|
if options.shape:
|
||||||
table.labels_append(['shapeMismatch({})'.format(options.defgrad)])
|
centers = damask.grid_filters.cell_coord(size,F)
|
||||||
centres = displacementFluctFFT(F_fourier,grid,size,False,transformed=True)\
|
shapeMismatch = shapeMismatch( size,table.get(options.defgrad).reshape(grid[2],grid[1],grid[0],3,3),nodes,centers)
|
||||||
+ deformationAvgFFT (F_fourier,grid,size,False,transformed=True)
|
table.add('shapeMismatch(({}))'.format(options.defgrad),
|
||||||
|
shapeMismatch.reshape((-1,1)),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
if options.volume:
|
if options.volume:
|
||||||
table.labels_append(['volMismatch({})'.format(options.defgrad)])
|
volumeMismatch = volumeMismatch(size,table.get(options.defgrad).reshape(grid[2],grid[1],grid[0],3,3),nodes)
|
||||||
|
table.add('volMismatch(({}))'.format(options.defgrad),
|
||||||
|
volumeMismatch.reshape((-1,1)),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
table.head_write()
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
if options.shape:
|
|
||||||
shapeMismatch = shapeMismatch( size,table.data[:,:9].reshape(grid[2],grid[1],grid[0],3,3),nodes,centres)
|
|
||||||
if options.volume:
|
|
||||||
volumeMismatch = volumeMismatch(size,table.data[:,:9].reshape(grid[2],grid[1],grid[0],3,3),nodes)
|
|
||||||
|
|
||||||
# ------------------------------------------ output data -------------------------------------------
|
|
||||||
for i in range(grid[2]):
|
|
||||||
for j in range(grid[1]):
|
|
||||||
for k in range(grid[0]):
|
|
||||||
table.data_read()
|
|
||||||
if options.shape: table.data_append(shapeMismatch[i,j,k])
|
|
||||||
if options.volume: table.data_append(volumeMismatch[i,j,k])
|
|
||||||
table.data_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
@ -22,79 +23,26 @@ Add cumulative (sum of first to current row) values for given label(s).
|
||||||
""", version = scriptID)
|
""", version = scriptID)
|
||||||
|
|
||||||
parser.add_option('-l','--label',
|
parser.add_option('-l','--label',
|
||||||
dest='label',
|
dest='labels',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'columns to cumulate')
|
help = 'columns to cumulate')
|
||||||
|
|
||||||
parser.add_option('-p','--product',
|
parser.add_option('-p','--product',
|
||||||
dest='product', action = 'store_true',
|
dest='product', action = 'store_true',
|
||||||
help = 'product of values instead of sum')
|
help = 'product of values instead of sum')
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.label is None:
|
|
||||||
parser.error('no data column(s) specified.')
|
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
if options.labels is None:
|
||||||
|
parser.error('no data column(s) specified.')
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
damask.util.report(scriptName,name)
|
||||||
table = damask.ASCIItable(name = name,
|
|
||||||
buffered = False)
|
|
||||||
except IOError: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
for label in options.labels:
|
||||||
|
table.add('cum_{}({})'.format('prod' if options.product else 'sum',label),
|
||||||
|
np.cumprod(table.get(label),0) if options.product else np.cumsum(table.get(label),0),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
table.head_read()
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
|
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
|
||||||
|
|
||||||
errors = []
|
|
||||||
remarks = []
|
|
||||||
columns = []
|
|
||||||
dims = []
|
|
||||||
how = 'prod' if options.product else 'sum'
|
|
||||||
|
|
||||||
for what in options.label:
|
|
||||||
dim = table.label_dimension(what)
|
|
||||||
if dim < 0: remarks.append('column {} not found...'.format(what))
|
|
||||||
else:
|
|
||||||
dims.append(dim)
|
|
||||||
columns.append(table.label_index(what))
|
|
||||||
table.labels_append('cum_{}({})'.format(how,what) if dim == 1 else
|
|
||||||
['{}_cum_{}({})'.format(i+1,how,what) for i in range(dim)] ) # extend ASCII header with new labels
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
|
||||||
mask = []
|
|
||||||
for col,dim in zip(columns,dims): mask += range(col,col+dim) # isolate data columns to cumulate
|
|
||||||
cumulated = np.ones(len(mask)) if options.product else np.zeros(len(mask)) # prepare output field
|
|
||||||
|
|
||||||
outputAlive = True
|
|
||||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
|
||||||
if options.product:
|
|
||||||
for i,col in enumerate(mask):
|
|
||||||
cumulated[i] *= float(table.data[col]) # cumulate values (multiplication)
|
|
||||||
else:
|
|
||||||
for i,col in enumerate(mask):
|
|
||||||
cumulated[i] += float(table.data[col]) # cumulate values (addition)
|
|
||||||
table.data_append(cumulated)
|
|
||||||
|
|
||||||
outputAlive = table.data_write() # output processed line
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
@ -12,48 +13,6 @@ import damask
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
def merge_dicts(*dict_args):
|
|
||||||
"""Given any number of dicts, shallow copy and merge into a new dict, with precedence going to key value pairs in latter dicts."""
|
|
||||||
result = {}
|
|
||||||
for dictionary in dict_args:
|
|
||||||
result.update(dictionary)
|
|
||||||
return result
|
|
||||||
|
|
||||||
def curlFFT(geomdim,field):
|
|
||||||
"""Calculate curl of a vector or tensor field by transforming into Fourier space."""
|
|
||||||
shapeFFT = np.array(np.shape(field))[0:3]
|
|
||||||
grid = np.array(np.shape(field)[2::-1])
|
|
||||||
N = grid.prod() # field size
|
|
||||||
n = np.array(np.shape(field)[3:]).prod() # data size
|
|
||||||
|
|
||||||
field_fourier = np.fft.rfftn(field,axes=(0,1,2),s=shapeFFT)
|
|
||||||
curl_fourier = np.empty(field_fourier.shape,'c16')
|
|
||||||
|
|
||||||
# differentiation in Fourier space
|
|
||||||
TWOPIIMG = 2.0j*np.pi
|
|
||||||
einsums = {
|
|
||||||
3:'slm,ijkl,ijkm->ijks', # vector, 3 -> 3
|
|
||||||
9:'slm,ijkl,ijknm->ijksn', # tensor, 3x3 -> 3x3
|
|
||||||
}
|
|
||||||
k_sk = np.where(np.arange(grid[2])>grid[2]//2,np.arange(grid[2])-grid[2],np.arange(grid[2]))/geomdim[0]
|
|
||||||
if grid[2]%2 == 0: k_sk[grid[2]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011)
|
|
||||||
|
|
||||||
k_sj = np.where(np.arange(grid[1])>grid[1]//2,np.arange(grid[1])-grid[1],np.arange(grid[1]))/geomdim[1]
|
|
||||||
if grid[1]%2 == 0: k_sj[grid[1]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011)
|
|
||||||
|
|
||||||
k_si = np.arange(grid[0]//2+1)/geomdim[2]
|
|
||||||
|
|
||||||
kk, kj, ki = np.meshgrid(k_sk,k_sj,k_si,indexing = 'ij')
|
|
||||||
k_s = np.concatenate((ki[:,:,:,None],kj[:,:,:,None],kk[:,:,:,None]),axis = 3).astype('c16')
|
|
||||||
|
|
||||||
e = np.zeros((3, 3, 3))
|
|
||||||
e[0, 1, 2] = e[1, 2, 0] = e[2, 0, 1] = 1.0 # Levi-Civita symbols
|
|
||||||
e[0, 2, 1] = e[2, 1, 0] = e[1, 0, 2] = -1.0
|
|
||||||
|
|
||||||
curl_fourier = np.einsum(einsums[n],e,k_s,field_fourier)*TWOPIIMG
|
|
||||||
|
|
||||||
return np.fft.irfftn(curl_fourier,axes=(0,1,2),s=shapeFFT).reshape([N,n])
|
|
||||||
|
|
||||||
|
|
||||||
# --------------------------------------------------------------------
|
# --------------------------------------------------------------------
|
||||||
# MAIN
|
# MAIN
|
||||||
|
|
@ -61,8 +20,7 @@ def curlFFT(geomdim,field):
|
||||||
|
|
||||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
|
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
|
||||||
Add column(s) containing curl of requested column(s).
|
Add column(s) containing curl of requested column(s).
|
||||||
Operates on periodic ordered three-dimensional data sets
|
Operates on periodic ordered three-dimensional data sets of vector and tensor fields.
|
||||||
of vector and tensor fields.
|
|
||||||
""", version = scriptID)
|
""", version = scriptID)
|
||||||
|
|
||||||
parser.add_option('-p','--pos','--periodiccellcenter',
|
parser.add_option('-p','--pos','--periodiccellcenter',
|
||||||
|
|
@ -70,93 +28,30 @@ parser.add_option('-p','--pos','--periodiccellcenter',
|
||||||
type = 'string', metavar = 'string',
|
type = 'string', metavar = 'string',
|
||||||
help = 'label of coordinates [%default]')
|
help = 'label of coordinates [%default]')
|
||||||
parser.add_option('-l','--label',
|
parser.add_option('-l','--label',
|
||||||
dest = 'data',
|
dest = 'labels',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'label(s) of field values')
|
help = 'label(s) of field values')
|
||||||
|
|
||||||
parser.set_defaults(pos = 'pos',
|
parser.set_defaults(pos = 'pos',
|
||||||
)
|
)
|
||||||
|
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.data is None: parser.error('no data column specified.')
|
|
||||||
|
|
||||||
# --- define possible data types -------------------------------------------------------------------
|
|
||||||
|
|
||||||
datatypes = {
|
|
||||||
3: {'name': 'vector',
|
|
||||||
'shape': [3],
|
|
||||||
},
|
|
||||||
9: {'name': 'tensor',
|
|
||||||
'shape': [3,3],
|
|
||||||
},
|
|
||||||
}
|
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
if options.labels is None: parser.error('no data column specified.')
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,buffered = False)
|
damask.util.report(scriptName,name)
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
|
||||||
|
|
||||||
table.head_read()
|
for label in options.labels:
|
||||||
|
field = table.get(label)
|
||||||
|
shape = (3,) if np.prod(field.shape)//np.prod(grid) == 3 else (3,3) # vector or tensor
|
||||||
|
field = field.reshape(np.append(grid[::-1],shape))
|
||||||
|
table.add('curlFFT({})'.format(label),
|
||||||
|
damask.grid_filters.curl(size[::-1],field).reshape((-1,np.prod(shape))),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
remarks = []
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
errors = []
|
|
||||||
active = []
|
|
||||||
|
|
||||||
coordDim = table.label_dimension(options.pos)
|
|
||||||
if coordDim != 3:
|
|
||||||
errors.append('coordinates "{}" must be three-dimensional.'.format(options.pos))
|
|
||||||
else: coordCol = table.label_index(options.pos)
|
|
||||||
|
|
||||||
for me in options.data:
|
|
||||||
dim = table.label_dimension(me)
|
|
||||||
if dim in datatypes:
|
|
||||||
active.append(merge_dicts({'label':me},datatypes[dim]))
|
|
||||||
remarks.append('differentiating {} "{}"...'.format(datatypes[dim]['name'],me))
|
|
||||||
else:
|
|
||||||
remarks.append('skipping "{}" of dimension {}...'.format(me,dim) if dim != -1 else \
|
|
||||||
'"{}" not found...'.format(me) )
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
for data in active:
|
|
||||||
table.labels_append(['{}_curlFFT({})'.format(i+1,data['label'])
|
|
||||||
for i in range(np.prod(np.array(data['shape'])))]) # extend ASCII header with new labels
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray()
|
|
||||||
grid,size = damask.util.coordGridAndSize(table.data[:,table.label_indexrange(options.pos)])
|
|
||||||
|
|
||||||
# ------------------------------------------ process value field -----------------------------------
|
|
||||||
|
|
||||||
stack = [table.data]
|
|
||||||
for data in active:
|
|
||||||
# we need to reverse order here, because x is fastest,ie rightmost, but leftmost in our x,y,z notation
|
|
||||||
stack.append(curlFFT(size[::-1],
|
|
||||||
table.data[:,table.label_indexrange(data['label'])].
|
|
||||||
reshape(grid[::-1].tolist()+data['shape'])))
|
|
||||||
|
|
||||||
# ------------------------------------------ output result -----------------------------------------
|
|
||||||
|
|
||||||
if len(stack) > 1: table.data = np.hstack(tuple(stack))
|
|
||||||
table.data_writeArray('%.12g')
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close input ASCII table (works for stdin)
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
@ -48,78 +49,26 @@ parser.add_option('-c','--coordinates',
|
||||||
type = 'string', metavar='string',
|
type = 'string', metavar='string',
|
||||||
help = 'heading of coordinate column')
|
help = 'heading of coordinate column')
|
||||||
parser.add_option('-l','--label',
|
parser.add_option('-l','--label',
|
||||||
dest = 'label',
|
dest = 'labels',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'heading of column(s) to differentiate')
|
help = 'heading of column(s) to differentiate')
|
||||||
|
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.coordinates is None:
|
|
||||||
parser.error('no coordinate column specified.')
|
|
||||||
if options.label is None:
|
|
||||||
parser.error('no data column specified.')
|
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
if options.coordinates is None:
|
||||||
|
parser.error('no coordinate column specified.')
|
||||||
|
if options.labels is None:
|
||||||
|
parser.error('no data column specified.')
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
damask.util.report(scriptName,name)
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
for label in options.labels:
|
||||||
|
table.add('d({})/d({})'.format(label,options.coordinates),
|
||||||
|
derivative(table.get(options.coordinates),table.get(label)),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
table.head_read()
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
|
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
|
||||||
|
|
||||||
errors = []
|
|
||||||
remarks = []
|
|
||||||
columns = []
|
|
||||||
dims = []
|
|
||||||
|
|
||||||
if table.label_dimension(options.coordinates) != 1:
|
|
||||||
errors.append('coordinate column {} is not scalar.'.format(options.coordinates))
|
|
||||||
|
|
||||||
for what in options.label:
|
|
||||||
dim = table.label_dimension(what)
|
|
||||||
if dim < 0: remarks.append('column {} not found...'.format(what))
|
|
||||||
else:
|
|
||||||
dims.append(dim)
|
|
||||||
columns.append(table.label_index(what))
|
|
||||||
table.labels_append('d({})/d({})'.format(what,options.coordinates) if dim == 1 else
|
|
||||||
['{}_d({})/d({})'.format(i+1,what,options.coordinates) for i in range(dim)] ) # extend ASCII header with new labels
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray()
|
|
||||||
|
|
||||||
mask = []
|
|
||||||
for col,dim in zip(columns,dims): mask += range(col,col+dim) # isolate data columns to differentiate
|
|
||||||
|
|
||||||
differentiated = derivative(table.data[:,table.label_index(options.coordinates)].reshape((len(table.data),1)),
|
|
||||||
table.data[:,mask]) # calculate numerical derivative
|
|
||||||
|
|
||||||
table.data = np.hstack((table.data,differentiated))
|
|
||||||
|
|
||||||
# ------------------------------------------ output result -----------------------------------------
|
|
||||||
|
|
||||||
table.data_writeArray()
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
|
|
|
||||||
|
|
@ -2,10 +2,10 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
import scipy.ndimage
|
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
||||||
|
|
@ -14,79 +14,6 @@ scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
|
|
||||||
#--------------------------------------------------------------------------------------------------
|
|
||||||
def cell2node(cellData,grid):
|
|
||||||
|
|
||||||
nodeData = 0.0
|
|
||||||
datalen = np.array(cellData.shape[3:]).prod()
|
|
||||||
|
|
||||||
for i in range(datalen):
|
|
||||||
node = scipy.ndimage.convolve(cellData.reshape(tuple(grid[::-1])+(datalen,))[...,i],
|
|
||||||
np.ones((2,2,2))/8., # 2x2x2 neighborhood of cells
|
|
||||||
mode = 'wrap',
|
|
||||||
origin = -1, # offset to have cell origin as center
|
|
||||||
) # now averaged at cell origins
|
|
||||||
node = np.append(node,node[np.newaxis,0,:,:,...],axis=0) # wrap along z
|
|
||||||
node = np.append(node,node[:,0,np.newaxis,:,...],axis=1) # wrap along y
|
|
||||||
node = np.append(node,node[:,:,0,np.newaxis,...],axis=2) # wrap along x
|
|
||||||
|
|
||||||
nodeData = node[...,np.newaxis] if i==0 else np.concatenate((nodeData,node[...,np.newaxis]),axis=-1)
|
|
||||||
|
|
||||||
return nodeData
|
|
||||||
|
|
||||||
#--------------------------------------------------------------------------------------------------
|
|
||||||
def displacementAvgFFT(F,grid,size,nodal=False,transformed=False):
|
|
||||||
"""Calculate average cell center (or nodal) displacement for deformation gradient field specified in each grid cell"""
|
|
||||||
if nodal:
|
|
||||||
x, y, z = np.meshgrid(np.linspace(0,size[2],1+grid[2]),
|
|
||||||
np.linspace(0,size[1],1+grid[1]),
|
|
||||||
np.linspace(0,size[0],1+grid[0]),
|
|
||||||
indexing = 'ij')
|
|
||||||
else:
|
|
||||||
delta = size/grid*0.5
|
|
||||||
x, y, z = np.meshgrid(np.linspace(delta[2],size[2]-delta[2],grid[2]),
|
|
||||||
np.linspace(delta[1],size[1]-delta[1],grid[1]),
|
|
||||||
np.linspace(delta[0],size[0]-delta[0],grid[0]),
|
|
||||||
indexing = 'ij')
|
|
||||||
|
|
||||||
origCoords = np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3)
|
|
||||||
|
|
||||||
F_fourier = F if transformed else np.fft.rfftn(F,axes=(0,1,2)) # transform or use provided data
|
|
||||||
Favg = np.real(F_fourier[0,0,0,:,:])/grid.prod() # take zero freq for average
|
|
||||||
avgDisplacement = np.einsum('ml,ijkl->ijkm',Favg-np.eye(3),origCoords) # dX = Favg.X
|
|
||||||
|
|
||||||
return avgDisplacement
|
|
||||||
|
|
||||||
#--------------------------------------------------------------------------------------------------
|
|
||||||
def displacementFluctFFT(F,grid,size,nodal=False,transformed=False):
|
|
||||||
"""Calculate cell center (or nodal) displacement for deformation gradient field specified in each grid cell"""
|
|
||||||
integrator = 0.5j * size / np.pi
|
|
||||||
|
|
||||||
kk, kj, ki = np.meshgrid(np.where(np.arange(grid[2])>grid[2]//2,np.arange(grid[2])-grid[2],np.arange(grid[2])),
|
|
||||||
np.where(np.arange(grid[1])>grid[1]//2,np.arange(grid[1])-grid[1],np.arange(grid[1])),
|
|
||||||
np.arange(grid[0]//2+1),
|
|
||||||
indexing = 'ij')
|
|
||||||
k_s = np.concatenate((ki[:,:,:,None],kj[:,:,:,None],kk[:,:,:,None]),axis = 3)
|
|
||||||
k_sSquared = np.einsum('...l,...l',k_s,k_s)
|
|
||||||
k_sSquared[0,0,0] = 1.0 # ignore global average frequency
|
|
||||||
|
|
||||||
#--------------------------------------------------------------------------------------------------
|
|
||||||
# integration in Fourier space
|
|
||||||
|
|
||||||
displacement_fourier = -np.einsum('ijkml,ijkl,l->ijkm',
|
|
||||||
F if transformed else np.fft.rfftn(F,axes=(0,1,2)),
|
|
||||||
k_s,
|
|
||||||
integrator,
|
|
||||||
) / k_sSquared[...,np.newaxis]
|
|
||||||
|
|
||||||
#--------------------------------------------------------------------------------------------------
|
|
||||||
# backtransformation to real space
|
|
||||||
|
|
||||||
displacement = np.fft.irfftn(displacement_fourier,grid[::-1],axes=(0,1,2))
|
|
||||||
|
|
||||||
return cell2node(displacement,grid) if nodal else displacement
|
|
||||||
|
|
||||||
|
|
||||||
# --------------------------------------------------------------------
|
# --------------------------------------------------------------------
|
||||||
# MAIN
|
# MAIN
|
||||||
# --------------------------------------------------------------------
|
# --------------------------------------------------------------------
|
||||||
|
|
@ -100,7 +27,7 @@ Outputs at cell centers or cell nodes (into separate file).
|
||||||
|
|
||||||
parser.add_option('-f',
|
parser.add_option('-f',
|
||||||
'--defgrad',
|
'--defgrad',
|
||||||
dest = 'defgrad',
|
dest = 'f',
|
||||||
metavar = 'string',
|
metavar = 'string',
|
||||||
help = 'label of deformation gradient [%default]')
|
help = 'label of deformation gradient [%default]')
|
||||||
parser.add_option('-p',
|
parser.add_option('-p',
|
||||||
|
|
@ -113,108 +40,34 @@ parser.add_option('--nodal',
|
||||||
action = 'store_true',
|
action = 'store_true',
|
||||||
help = 'output nodal (instead of cell-centered) displacements')
|
help = 'output nodal (instead of cell-centered) displacements')
|
||||||
|
|
||||||
parser.set_defaults(defgrad = 'f',
|
parser.set_defaults(f = 'f',
|
||||||
pos = 'pos',
|
pos = 'pos',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
outname = (os.path.splitext(name)[0] +
|
damask.util.report(scriptName,name)
|
||||||
'_nodal' +
|
|
||||||
os.path.splitext(name)[1]) if (options.nodal and name) else None
|
|
||||||
try: table = damask.ASCIItable(name = name,
|
|
||||||
outname = outname,
|
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,'{}{}'.format(name if name else '',
|
|
||||||
' --> {}'.format(outname) if outname else ''))
|
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
|
||||||
|
|
||||||
table.head_read()
|
F = table.get(options.f).reshape(np.append(grid[::-1],(3,3)))
|
||||||
|
if options.nodal:
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
table = damask.Table(damask.grid_filters.node_coord0(grid[::-1],size[::-1]).reshape((-1,3)),
|
||||||
|
{'pos':(3,)})
|
||||||
errors = []
|
table.add('avg({}).{}'.format(options.f,options.pos),
|
||||||
remarks = []
|
damask.grid_filters.node_displacement_avg(size[::-1],F).reshape((-1,3)),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
if table.label_dimension(options.defgrad) != 9:
|
table.add('fluct({}).{}'.format(options.f,options.pos),
|
||||||
errors.append('deformation gradient "{}" is not a 3x3 tensor.'.format(options.defgrad))
|
damask.grid_filters.node_displacement_fluct(size[::-1],F).reshape((-1,3)),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
coordDim = table.label_dimension(options.pos)
|
table.to_ASCII(sys.stdout if name is None else os.path.splitext(name)[0]+'_nodal.txt')
|
||||||
if not 3 >= coordDim >= 1:
|
else:
|
||||||
errors.append('coordinates "{}" need to have one, two, or three dimensions.'.format(options.pos))
|
table.add('avg({}).{}'.format(options.f,options.pos),
|
||||||
elif coordDim < 3:
|
damask.grid_filters.cell_displacement_avg(size[::-1],F).reshape((-1,3)),
|
||||||
remarks.append('appending {} dimension{} to coordinates "{}"...'.format(3-coordDim,
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
's' if coordDim < 2 else '',
|
table.add('fluct({}).{}'.format(options.f,options.pos),
|
||||||
options.pos))
|
damask.grid_filters.cell_displacement_fluct(size[::-1],F).reshape((-1,3)),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
if remarks != []: damask.util.croak(remarks)
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss=True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray([options.defgrad,options.pos])
|
|
||||||
table.data_rewind()
|
|
||||||
|
|
||||||
if len(table.data.shape) < 2: table.data.shape += (1,) # expand to 2D shape
|
|
||||||
if table.data[:,9:].shape[1] < 3:
|
|
||||||
table.data = np.hstack((table.data,
|
|
||||||
np.zeros((table.data.shape[0],
|
|
||||||
3-table.data[:,9:].shape[1]),dtype='f'))) # fill coords up to 3D with zeros
|
|
||||||
|
|
||||||
grid,size = damask.util.coordGridAndSize(table.data[:,9:12])
|
|
||||||
N = grid.prod()
|
|
||||||
|
|
||||||
if N != len(table.data): errors.append('data count {} does not match grid {}x{}x{}.'.format(N,*grid))
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
|
||||||
|
|
||||||
F_fourier = np.fft.rfftn(table.data[:,:9].reshape(grid[2],grid[1],grid[0],3,3),axes=(0,1,2)) # perform transform only once...
|
|
||||||
|
|
||||||
fluctDisplacement = displacementFluctFFT(F_fourier,grid,size,options.nodal,transformed=True)
|
|
||||||
avgDisplacement = displacementAvgFFT (F_fourier,grid,size,options.nodal,transformed=True)
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
|
||||||
|
|
||||||
if options.nodal:
|
|
||||||
table.info_clear()
|
|
||||||
table.labels_clear()
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
table.labels_append((['{}_pos' .format(i+1) for i in range(3)] if options.nodal else []) +
|
|
||||||
['{}_avg({}).{}' .format(i+1,options.defgrad,options.pos) for i in range(3)] +
|
|
||||||
['{}_fluct({}).{}'.format(i+1,options.defgrad,options.pos) for i in range(3)] )
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ output data -------------------------------------------
|
|
||||||
|
|
||||||
Zrange = np.linspace(0,size[2],1+grid[2]) if options.nodal else range(grid[2])
|
|
||||||
Yrange = np.linspace(0,size[1],1+grid[1]) if options.nodal else range(grid[1])
|
|
||||||
Xrange = np.linspace(0,size[0],1+grid[0]) if options.nodal else range(grid[0])
|
|
||||||
|
|
||||||
for i,z in enumerate(Zrange):
|
|
||||||
for j,y in enumerate(Yrange):
|
|
||||||
for k,x in enumerate(Xrange):
|
|
||||||
if options.nodal: table.data_clear()
|
|
||||||
else: table.data_read()
|
|
||||||
table.data_append([x,y,z] if options.nodal else [])
|
|
||||||
table.data_append(list( avgDisplacement[i,j,k,:]))
|
|
||||||
table.data_append(list(fluctDisplacement[i,j,k,:]))
|
|
||||||
table.data_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
@ -12,53 +13,14 @@ import damask
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
def merge_dicts(*dict_args):
|
|
||||||
"""Given any number of dicts, shallow copy and merge into a new dict, with precedence going to key value pairs in latter dicts."""
|
|
||||||
result = {}
|
|
||||||
for dictionary in dict_args:
|
|
||||||
result.update(dictionary)
|
|
||||||
return result
|
|
||||||
|
|
||||||
def divFFT(geomdim,field):
|
|
||||||
"""Calculate divergence of a vector or tensor field by transforming into Fourier space."""
|
|
||||||
shapeFFT = np.array(np.shape(field))[0:3]
|
|
||||||
grid = np.array(np.shape(field)[2::-1])
|
|
||||||
N = grid.prod() # field size
|
|
||||||
n = np.array(np.shape(field)[3:]).prod() # data size
|
|
||||||
|
|
||||||
field_fourier = np.fft.rfftn(field,axes=(0,1,2),s=shapeFFT)
|
|
||||||
div_fourier = np.empty(field_fourier.shape[0:len(np.shape(field))-1],'c16')
|
|
||||||
|
|
||||||
# differentiation in Fourier space
|
|
||||||
TWOPIIMG = 2.0j*np.pi
|
|
||||||
einsums = {
|
|
||||||
3:'ijkl,ijkl->ijk', # vector, 3 -> 1
|
|
||||||
9:'ijkm,ijklm->ijkl', # tensor, 3x3 -> 3
|
|
||||||
}
|
|
||||||
k_sk = np.where(np.arange(grid[2])>grid[2]//2,np.arange(grid[2])-grid[2],np.arange(grid[2]))/geomdim[0]
|
|
||||||
if grid[2]%2 == 0: k_sk[grid[2]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011)
|
|
||||||
|
|
||||||
k_sj = np.where(np.arange(grid[1])>grid[1]//2,np.arange(grid[1])-grid[1],np.arange(grid[1]))/geomdim[1]
|
|
||||||
if grid[1]%2 == 0: k_sj[grid[1]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011)
|
|
||||||
|
|
||||||
k_si = np.arange(grid[0]//2+1)/geomdim[2]
|
|
||||||
|
|
||||||
kk, kj, ki = np.meshgrid(k_sk,k_sj,k_si,indexing = 'ij')
|
|
||||||
k_s = np.concatenate((ki[:,:,:,None],kj[:,:,:,None],kk[:,:,:,None]),axis = 3).astype('c16')
|
|
||||||
|
|
||||||
div_fourier = np.einsum(einsums[n],k_s,field_fourier)*TWOPIIMG
|
|
||||||
|
|
||||||
return np.fft.irfftn(div_fourier,axes=(0,1,2),s=shapeFFT).reshape([N,n//3])
|
|
||||||
|
|
||||||
|
|
||||||
# --------------------------------------------------------------------
|
# --------------------------------------------------------------------
|
||||||
# MAIN
|
# MAIN
|
||||||
# --------------------------------------------------------------------
|
# --------------------------------------------------------------------
|
||||||
|
|
||||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog option(s) [ASCIItable(s)]', description = """
|
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
|
||||||
Add column(s) containing curl of requested column(s).
|
Add column(s) containing divergence of requested column(s).
|
||||||
Operates on periodic ordered three-dimensional data sets
|
Operates on periodic ordered three-dimensional data sets of vector and tensor fields.
|
||||||
of vector and tensor fields.
|
|
||||||
""", version = scriptID)
|
""", version = scriptID)
|
||||||
|
|
||||||
parser.add_option('-p','--pos','--periodiccellcenter',
|
parser.add_option('-p','--pos','--periodiccellcenter',
|
||||||
|
|
@ -66,95 +28,30 @@ parser.add_option('-p','--pos','--periodiccellcenter',
|
||||||
type = 'string', metavar = 'string',
|
type = 'string', metavar = 'string',
|
||||||
help = 'label of coordinates [%default]')
|
help = 'label of coordinates [%default]')
|
||||||
parser.add_option('-l','--label',
|
parser.add_option('-l','--label',
|
||||||
dest = 'data',
|
dest = 'labels',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'label(s) of field values')
|
help = 'label(s) of field values')
|
||||||
|
|
||||||
parser.set_defaults(pos = 'pos',
|
parser.set_defaults(pos = 'pos',
|
||||||
)
|
)
|
||||||
|
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.data is None: parser.error('no data column specified.')
|
|
||||||
|
|
||||||
# --- define possible data types -------------------------------------------------------------------
|
|
||||||
|
|
||||||
datatypes = {
|
|
||||||
3: {'name': 'vector',
|
|
||||||
'shape': [3],
|
|
||||||
},
|
|
||||||
9: {'name': 'tensor',
|
|
||||||
'shape': [3,3],
|
|
||||||
},
|
|
||||||
}
|
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
if options.labels is None: parser.error('no data column specified.')
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,buffered = False)
|
damask.util.report(scriptName,name)
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
|
||||||
|
|
||||||
table.head_read()
|
for label in options.labels:
|
||||||
|
field = table.get(label)
|
||||||
|
shape = (3,) if np.prod(field.shape)//np.prod(grid) == 3 else (3,3) # vector or tensor
|
||||||
|
field = field.reshape(np.append(grid[::-1],shape))
|
||||||
|
table.add('divFFT({})'.format(label),
|
||||||
|
damask.grid_filters.divergence(size[::-1],field).reshape((-1,np.prod(shape)//3)),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
remarks = []
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
errors = []
|
|
||||||
active = []
|
|
||||||
|
|
||||||
coordDim = table.label_dimension(options.pos)
|
|
||||||
if coordDim != 3:
|
|
||||||
errors.append('coordinates "{}" must be three-dimensional.'.format(options.pos))
|
|
||||||
else: coordCol = table.label_index(options.pos)
|
|
||||||
|
|
||||||
for me in options.data:
|
|
||||||
dim = table.label_dimension(me)
|
|
||||||
if dim in datatypes:
|
|
||||||
active.append(merge_dicts({'label':me},datatypes[dim]))
|
|
||||||
remarks.append('differentiating {} "{}"...'.format(datatypes[dim]['name'],me))
|
|
||||||
else:
|
|
||||||
remarks.append('skipping "{}" of dimension {}...'.format(me,dim) if dim != -1 else \
|
|
||||||
'"{}" not found...'.format(me) )
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
for data in active:
|
|
||||||
table.labels_append(['divFFT({})'.format(data['label']) if data['shape'] == [3] \
|
|
||||||
else '{}_divFFT({})'.format(i+1,data['label'])
|
|
||||||
for i in range(np.prod(np.array(data['shape']))//3)]) # extend ASCII header with new labels
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray()
|
|
||||||
|
|
||||||
grid,size = damask.util.coordGridAndSize(table.data[:,table.label_indexrange(options.pos)])
|
|
||||||
|
|
||||||
# ------------------------------------------ process value field -----------------------------------
|
|
||||||
|
|
||||||
stack = [table.data]
|
|
||||||
for data in active:
|
|
||||||
# we need to reverse order here, because x is fastest,ie rightmost, but leftmost in our x,y,z notation
|
|
||||||
stack.append(divFFT(size[::-1],
|
|
||||||
table.data[:,table.label_indexrange(data['label'])].
|
|
||||||
reshape(grid[::-1].tolist()+data['shape'])))
|
|
||||||
|
|
||||||
# ------------------------------------------ output result -----------------------------------------
|
|
||||||
|
|
||||||
if len(stack) > 1: table.data = np.hstack(tuple(stack))
|
|
||||||
table.data_writeArray('%.12g')
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close input ASCII table (works for stdin)
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
import itertools
|
import itertools
|
||||||
|
|
||||||
|
|
@ -121,13 +122,14 @@ parser.set_defaults(pos = 'pos',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
if options.type is None:
|
if options.type is None:
|
||||||
parser.error('no feature type selected.')
|
parser.error('no feature type selected.')
|
||||||
if not set(options.type).issubset(set(list(itertools.chain(*map(lambda x: x['names'],features))))):
|
if not set(options.type).issubset(set(list(itertools.chain(*map(lambda x: x['names'],features))))):
|
||||||
parser.error('type must be chosen from (%s).'%(', '.join(map(lambda x:'|'.join(x['names']),features))) )
|
parser.error('type must be chosen from (%s).'%(', '.join(map(lambda x:'|'.join(x['names']),features))) )
|
||||||
if 'biplane' in options.type and 'boundary' in options.type:
|
if 'biplane' in options.type and 'boundary' in options.type:
|
||||||
parser.error('only one from aliases "biplane" and "boundary" possible.')
|
parser.error('only one from aliases "biplane" and "boundary" possible.')
|
||||||
|
|
||||||
feature_list = []
|
feature_list = []
|
||||||
for i,feature in enumerate(features):
|
for i,feature in enumerate(features):
|
||||||
|
|
@ -137,104 +139,49 @@ for i,feature in enumerate(features):
|
||||||
feature_list.append(i) # remember valid features
|
feature_list.append(i) # remember valid features
|
||||||
break
|
break
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name, buffered = False)
|
damask.util.report(scriptName,name)
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
|
||||||
|
|
||||||
table.head_read()
|
neighborhood = neighborhoods[options.neighborhood]
|
||||||
|
diffToNeighbor = np.empty(list(grid+2)+[len(neighborhood)],'i')
|
||||||
|
microstructure = periodic_3Dpad(table.get(options.id).astype('i').reshape(grid,order='F'))
|
||||||
|
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
for i,p in enumerate(neighborhood):
|
||||||
|
stencil = np.zeros((3,3,3),'i')
|
||||||
errors = []
|
stencil[1,1,1] = -1
|
||||||
remarks = []
|
stencil[p[0]+1,
|
||||||
|
p[1]+1,
|
||||||
if not 3 >= table.label_dimension(options.pos) >= 1:
|
p[2]+1] = 1
|
||||||
errors.append('coordinates "{}" need to have one, two, or three dimensions.'.format(options.pos))
|
diffToNeighbor[:,:,:,i] = ndimage.convolve(microstructure,stencil) # compare ID at each point...
|
||||||
|
|
||||||
if table.label_dimension(options.id) != 1: errors.append('grain identifier {} not found.'.format(options.id))
|
|
||||||
else: idCol = table.label_index(options.id)
|
|
||||||
|
|
||||||
if remarks != []:
|
|
||||||
damask.util.croak(remarks)
|
|
||||||
remarks = []
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
for feature in feature_list:
|
|
||||||
table.labels_append('ED_{}({})'.format(features[feature]['names'][0],options.id)) # extend ASCII header with new labels
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray()
|
|
||||||
|
|
||||||
grid,size = damask.util.coordGridAndSize(table.data[:,table.label_indexrange(options.pos)])
|
|
||||||
N = grid.prod()
|
|
||||||
|
|
||||||
if N != len(table.data): errors.append('data count {} does not match grid {}.'.format(N,'x'.join(map(str,grid))))
|
|
||||||
else: remarks.append('grid: {}x{}x{}'.format(*grid))
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ process value field -----------------------------------
|
|
||||||
|
|
||||||
stack = [table.data]
|
|
||||||
|
|
||||||
neighborhood = neighborhoods[options.neighborhood]
|
|
||||||
diffToNeighbor = np.empty(list(grid+2)+[len(neighborhood)],'i')
|
|
||||||
microstructure = periodic_3Dpad(table.data[:,idCol].astype('i').reshape(grid,order='F'))
|
|
||||||
|
|
||||||
for i,p in enumerate(neighborhood):
|
|
||||||
stencil = np.zeros((3,3,3),'i')
|
|
||||||
stencil[1,1,1] = -1
|
|
||||||
stencil[p[0]+1,
|
|
||||||
p[1]+1,
|
|
||||||
p[2]+1] = 1
|
|
||||||
diffToNeighbor[:,:,:,i] = ndimage.convolve(microstructure,stencil) # compare ID at each point...
|
|
||||||
# ...to every one in the specified neighborhood
|
# ...to every one in the specified neighborhood
|
||||||
# for same IDs at both locations ==> 0
|
# for same IDs at both locations ==> 0
|
||||||
|
|
||||||
diffToNeighbor = np.sort(diffToNeighbor) # sort diff such that number of changes in diff (steps)...
|
diffToNeighbor = np.sort(diffToNeighbor) # sort diff such that number of changes in diff (steps)...
|
||||||
# ...reflects number of unique neighbors
|
# ...reflects number of unique neighbors
|
||||||
uniques = np.where(diffToNeighbor[1:-1,1:-1,1:-1,0] != 0, 1,0) # initialize unique value counter (exclude myself [= 0])
|
uniques = np.where(diffToNeighbor[1:-1,1:-1,1:-1,0] != 0, 1,0) # initialize unique value counter (exclude myself [= 0])
|
||||||
|
|
||||||
for i in range(1,len(neighborhood)): # check remaining points in neighborhood
|
for i in range(1,len(neighborhood)): # check remaining points in neighborhood
|
||||||
uniques += np.where(np.logical_and(
|
uniques += np.where(np.logical_and(
|
||||||
diffToNeighbor[1:-1,1:-1,1:-1,i] != 0, # not myself?
|
diffToNeighbor[1:-1,1:-1,1:-1,i] != 0, # not myself?
|
||||||
diffToNeighbor[1:-1,1:-1,1:-1,i] != diffToNeighbor[1:-1,1:-1,1:-1,i-1],
|
diffToNeighbor[1:-1,1:-1,1:-1,i] != diffToNeighbor[1:-1,1:-1,1:-1,i-1],
|
||||||
), # flip of ID difference detected?
|
), # flip of ID difference detected?
|
||||||
1,0) # count that flip
|
1,0) # count that flip
|
||||||
|
|
||||||
distance = np.ones((len(feature_list),grid[0],grid[1],grid[2]),'d')
|
distance = np.ones((len(feature_list),grid[0],grid[1],grid[2]),'d')
|
||||||
|
|
||||||
for i,feature_id in enumerate(feature_list):
|
for i,feature_id in enumerate(feature_list):
|
||||||
distance[i,:,:,:] = np.where(uniques >= features[feature_id]['aliens'],0.0,1.0) # seed with 0.0 when enough unique neighbor IDs are present
|
distance[i,:,:,:] = np.where(uniques >= features[feature_id]['aliens'],0.0,1.0) # seed with 0.0 when enough unique neighbor IDs are present
|
||||||
distance[i,:,:,:] = ndimage.morphology.distance_transform_edt(distance[i,:,:,:])*[options.scale]*3
|
distance[i,:,:,:] = ndimage.morphology.distance_transform_edt(distance[i,:,:,:])*[options.scale]*3
|
||||||
|
|
||||||
distance = distance.reshape([len(feature_list),grid.prod(),1],order='F')
|
distance = distance.reshape([len(feature_list),grid.prod(),1],order='F')
|
||||||
for i in range(len(feature_list)):
|
|
||||||
stack.append(distance[i,:])
|
|
||||||
|
|
||||||
# ------------------------------------------ output result -----------------------------------------
|
|
||||||
|
|
||||||
if len(stack) > 1: table.data = np.hstack(tuple(stack))
|
for i,feature in enumerate(feature_list):
|
||||||
table.data_writeArray('%.12g')
|
table.add('ED_{}({})'.format(features[feature]['names'][0],options.id),
|
||||||
|
distance[i,:],
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
|
|
||||||
table.close() # close input ASCII table (works for stdin)
|
|
||||||
|
|
|
||||||
|
|
@ -2,9 +2,9 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
|
||||||
from scipy import ndimage
|
from scipy import ndimage
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
@ -30,7 +30,7 @@ parser.add_option('-p','--pos','--periodiccellcenter',
|
||||||
type = 'string', metavar = 'string',
|
type = 'string', metavar = 'string',
|
||||||
help = 'label of coordinates [%default]')
|
help = 'label of coordinates [%default]')
|
||||||
parser.add_option('-s','--scalar',
|
parser.add_option('-s','--scalar',
|
||||||
dest = 'scalar',
|
dest = 'labels',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'label(s) of scalar field values')
|
help = 'label(s) of scalar field values')
|
||||||
parser.add_option('-o','--order',
|
parser.add_option('-o','--order',
|
||||||
|
|
@ -56,78 +56,21 @@ parser.set_defaults(pos = 'pos',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.scalar is None:
|
|
||||||
parser.error('no data column specified.')
|
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
if options.labels is None: parser.error('no data column specified.')
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,buffered = False)
|
damask.util.report(scriptName,name)
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
damask.grid_filters.coord0_check(table.get(options.pos))
|
||||||
|
|
||||||
table.head_read()
|
for label in options.labels:
|
||||||
|
table.add('Gauss{}({})'.format(options.sigma,label),
|
||||||
|
ndimage.filters.gaussian_filter(table.get(label).reshape((-1)),
|
||||||
|
options.sigma,options.order,
|
||||||
|
mode = 'wrap' if options.periodic else 'nearest'),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
|
|
||||||
items = {
|
|
||||||
'scalar': {'dim': 1, 'shape': [1], 'labels':options.scalar, 'active':[], 'column': []},
|
|
||||||
}
|
|
||||||
errors = []
|
|
||||||
remarks = []
|
|
||||||
column = {}
|
|
||||||
|
|
||||||
if table.label_dimension(options.pos) != 3: errors.append('coordinates {} are not a vector.'.format(options.pos))
|
|
||||||
else: colCoord = table.label_index(options.pos)
|
|
||||||
|
|
||||||
for type, data in items.items():
|
|
||||||
for what in (data['labels'] if data['labels'] is not None else []):
|
|
||||||
dim = table.label_dimension(what)
|
|
||||||
if dim != data['dim']: remarks.append('column {} is not a {}.'.format(what,type))
|
|
||||||
else:
|
|
||||||
items[type]['active'].append(what)
|
|
||||||
items[type]['column'].append(table.label_index(what))
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
for type, data in items.items():
|
|
||||||
for label in data['active']:
|
|
||||||
table.labels_append(['Gauss{}({})'.format(options.sigma,label)]) # extend ASCII header with new labels
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray()
|
|
||||||
|
|
||||||
grid,size = damask.util.coordGridAndSize(table.data[:,table.label_indexrange(options.pos)])
|
|
||||||
|
|
||||||
# ------------------------------------------ process value field -----------------------------------
|
|
||||||
|
|
||||||
stack = [table.data]
|
|
||||||
for type, data in items.items():
|
|
||||||
for i,label in enumerate(data['active']):
|
|
||||||
stack.append(ndimage.filters.gaussian_filter(table.data[:,data['column'][i]],
|
|
||||||
options.sigma,options.order,
|
|
||||||
mode = 'wrap' if options.periodic else 'nearest'
|
|
||||||
).reshape([table.data.shape[0],1])
|
|
||||||
)
|
|
||||||
|
|
||||||
# ------------------------------------------ output result -----------------------------------------
|
|
||||||
if len(stack) > 1: table.data = np.hstack(tuple(stack))
|
|
||||||
table.data_writeArray('%.12g')
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close input ASCII table (works for stdin)
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
@ -12,44 +13,6 @@ import damask
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
def merge_dicts(*dict_args):
|
|
||||||
"""Given any number of dicts, shallow copy and merge into a new dict, with precedence going to key value pairs in latter dicts."""
|
|
||||||
result = {}
|
|
||||||
for dictionary in dict_args:
|
|
||||||
result.update(dictionary)
|
|
||||||
return result
|
|
||||||
|
|
||||||
def gradFFT(geomdim,field):
|
|
||||||
"""Calculate gradient of a vector or scalar field by transforming into Fourier space."""
|
|
||||||
shapeFFT = np.array(np.shape(field))[0:3]
|
|
||||||
grid = np.array(np.shape(field)[2::-1])
|
|
||||||
N = grid.prod() # field size
|
|
||||||
n = np.array(np.shape(field)[3:]).prod() # data size
|
|
||||||
|
|
||||||
field_fourier = np.fft.rfftn(field,axes=(0,1,2),s=shapeFFT)
|
|
||||||
grad_fourier = np.empty(field_fourier.shape+(3,),'c16')
|
|
||||||
|
|
||||||
# differentiation in Fourier space
|
|
||||||
TWOPIIMG = 2.0j*np.pi
|
|
||||||
einsums = {
|
|
||||||
1:'ijkl,ijkm->ijkm', # scalar, 1 -> 3
|
|
||||||
3:'ijkl,ijkm->ijklm', # vector, 3 -> 3x3
|
|
||||||
}
|
|
||||||
|
|
||||||
k_sk = np.where(np.arange(grid[2])>grid[2]//2,np.arange(grid[2])-grid[2],np.arange(grid[2]))/geomdim[0]
|
|
||||||
if grid[2]%2 == 0: k_sk[grid[2]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011)
|
|
||||||
|
|
||||||
k_sj = np.where(np.arange(grid[1])>grid[1]//2,np.arange(grid[1])-grid[1],np.arange(grid[1]))/geomdim[1]
|
|
||||||
if grid[1]%2 == 0: k_sj[grid[1]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011)
|
|
||||||
|
|
||||||
k_si = np.arange(grid[0]//2+1)/geomdim[2]
|
|
||||||
|
|
||||||
kk, kj, ki = np.meshgrid(k_sk,k_sj,k_si,indexing = 'ij')
|
|
||||||
k_s = np.concatenate((ki[:,:,:,None],kj[:,:,:,None],kk[:,:,:,None]),axis = 3).astype('c16')
|
|
||||||
grad_fourier = np.einsum(einsums[n],field_fourier,k_s)*TWOPIIMG
|
|
||||||
|
|
||||||
return np.fft.irfftn(grad_fourier,axes=(0,1,2),s=shapeFFT).reshape([N,3*n])
|
|
||||||
|
|
||||||
|
|
||||||
# --------------------------------------------------------------------
|
# --------------------------------------------------------------------
|
||||||
# MAIN
|
# MAIN
|
||||||
|
|
@ -57,9 +20,7 @@ def gradFFT(geomdim,field):
|
||||||
|
|
||||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
|
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
|
||||||
Add column(s) containing gradient of requested column(s).
|
Add column(s) containing gradient of requested column(s).
|
||||||
Operates on periodic ordered three-dimensional data sets
|
Operates on periodic ordered three-dimensional data sets of scalar and vector fields.
|
||||||
of vector and scalar fields.
|
|
||||||
|
|
||||||
""", version = scriptID)
|
""", version = scriptID)
|
||||||
|
|
||||||
parser.add_option('-p','--pos','--periodiccellcenter',
|
parser.add_option('-p','--pos','--periodiccellcenter',
|
||||||
|
|
@ -67,7 +28,7 @@ parser.add_option('-p','--pos','--periodiccellcenter',
|
||||||
type = 'string', metavar = 'string',
|
type = 'string', metavar = 'string',
|
||||||
help = 'label of coordinates [%default]')
|
help = 'label of coordinates [%default]')
|
||||||
parser.add_option('-l','--label',
|
parser.add_option('-l','--label',
|
||||||
dest = 'data',
|
dest = 'labels',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'label(s) of field values')
|
help = 'label(s) of field values')
|
||||||
|
|
||||||
|
|
@ -75,85 +36,22 @@ parser.set_defaults(pos = 'pos',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.data is None: parser.error('no data column specified.')
|
|
||||||
|
|
||||||
# --- define possible data types -------------------------------------------------------------------
|
|
||||||
|
|
||||||
datatypes = {
|
|
||||||
1: {'name': 'scalar',
|
|
||||||
'shape': [1],
|
|
||||||
},
|
|
||||||
3: {'name': 'vector',
|
|
||||||
'shape': [3],
|
|
||||||
},
|
|
||||||
}
|
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
if options.labels is None: parser.error('no data column specified.')
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,buffered = False)
|
damask.util.report(scriptName,name)
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
|
||||||
|
|
||||||
table.head_read()
|
for label in options.labels:
|
||||||
|
field = table.get(label)
|
||||||
|
shape = (1,) if np.prod(field.shape)//np.prod(grid) == 1 else (3,) # scalar or vector
|
||||||
|
field = field.reshape(np.append(grid[::-1],shape))
|
||||||
|
table.add('gradFFT({})'.format(label),
|
||||||
|
damask.grid_filters.gradient(size[::-1],field).reshape((-1,np.prod(shape)*3)),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
remarks = []
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
errors = []
|
|
||||||
active = []
|
|
||||||
|
|
||||||
coordDim = table.label_dimension(options.pos)
|
|
||||||
if coordDim != 3:
|
|
||||||
errors.append('coordinates "{}" must be three-dimensional.'.format(options.pos))
|
|
||||||
else: coordCol = table.label_index(options.pos)
|
|
||||||
|
|
||||||
for me in options.data:
|
|
||||||
dim = table.label_dimension(me)
|
|
||||||
if dim in datatypes:
|
|
||||||
active.append(merge_dicts({'label':me},datatypes[dim]))
|
|
||||||
remarks.append('differentiating {} "{}"...'.format(datatypes[dim]['name'],me))
|
|
||||||
else:
|
|
||||||
remarks.append('skipping "{}" of dimension {}...'.format(me,dim) if dim != -1 else \
|
|
||||||
'"{}" not found...'.format(me) )
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
for data in active:
|
|
||||||
table.labels_append(['{}_gradFFT({})'.format(i+1,data['label'])
|
|
||||||
for i in range(coordDim*np.prod(np.array(data['shape'])))]) # extend ASCII header with new labels
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray()
|
|
||||||
|
|
||||||
grid,size = damask.util.coordGridAndSize(table.data[:,table.label_indexrange(options.pos)])
|
|
||||||
|
|
||||||
# ------------------------------------------ process value field -----------------------------------
|
|
||||||
|
|
||||||
stack = [table.data]
|
|
||||||
for data in active:
|
|
||||||
# we need to reverse order here, because x is fastest,ie rightmost, but leftmost in our x,y,z notation
|
|
||||||
stack.append(gradFFT(size[::-1],
|
|
||||||
table.data[:,table.label_indexrange(data['label'])].
|
|
||||||
reshape(grid[::-1].tolist()+data['shape'])))
|
|
||||||
|
|
||||||
# ------------------------------------------ output result -----------------------------------------
|
|
||||||
|
|
||||||
if len(stack) > 1: table.data = np.hstack(tuple(stack))
|
|
||||||
table.data_writeArray('%.12g')
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close input ASCII table (works for stdin)
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
@ -43,54 +44,25 @@ parser.set_defaults(pole = (0.0,0.0,1.0),
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
# damask.Orientation requires Bravais lattice, but we are only interested in symmetry
|
# damask.Orientation requires Bravais lattice, but we are only interested in symmetry
|
||||||
symmetry2lattice={'cubic':'bcc','hexagonal':'hex','tetragonal':'bct'}
|
symmetry2lattice={'cubic':'fcc','hexagonal':'hex','tetragonal':'bct'}
|
||||||
lattice = symmetry2lattice[options.symmetry]
|
lattice = symmetry2lattice[options.symmetry]
|
||||||
|
|
||||||
pole = np.array(options.pole)
|
pole = np.array(options.pole)
|
||||||
pole /= np.linalg.norm(pole)
|
pole /= np.linalg.norm(pole)
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
damask.util.report(scriptName,name)
|
||||||
table = damask.ASCIItable(name = name,
|
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
orientation = table.get(options.quaternion)
|
||||||
|
color = np.empty((orientation.shape[0],3))
|
||||||
|
for i,o in enumerate(orientation):
|
||||||
|
color[i] = damask.Orientation(o,lattice = lattice).IPFcolor(pole)
|
||||||
|
|
||||||
table.head_read()
|
table.add('IPF_{:g}{:g}{:g}_{sym}'.format(*options.pole,sym = options.symmetry.lower()),
|
||||||
|
color,
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
if not table.label_dimension(options.quaternion) == 4:
|
|
||||||
damask.util.croak('input {} does not have dimension 4.'.format(options.quaternion))
|
|
||||||
table.close(dismiss = True) # close ASCIItable and remove empty file
|
|
||||||
continue
|
|
||||||
|
|
||||||
column = table.label_index(options.quaternion)
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
table.labels_append(['{}_IPF_{:g}{:g}{:g}_{sym}'.format(i+1,*options.pole,sym = options.symmetry.lower()) for i in range(3)])
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
|
||||||
|
|
||||||
outputAlive = True
|
|
||||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
|
||||||
o = damask.Orientation(np.array(list(map(float,table.data[column:column+4]))),
|
|
||||||
lattice = lattice).reduced()
|
|
||||||
|
|
||||||
table.data_append(o.IPFcolor(pole))
|
|
||||||
outputAlive = table.data_write() # output processed line
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
@ -42,7 +43,7 @@ parser.add_option('-n','--norm',
|
||||||
type = 'choice', choices = normChoices, metavar='string',
|
type = 'choice', choices = normChoices, metavar='string',
|
||||||
help = 'type of element-wise p-norm [frobenius] {%s}'%(','.join(map(str,normChoices))))
|
help = 'type of element-wise p-norm [frobenius] {%s}'%(','.join(map(str,normChoices))))
|
||||||
parser.add_option('-l','--label',
|
parser.add_option('-l','--label',
|
||||||
dest = 'label',
|
dest = 'labels',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'heading of column(s) to calculate norm of')
|
help = 'heading of column(s) to calculate norm of')
|
||||||
|
|
||||||
|
|
@ -50,62 +51,25 @@ parser.set_defaults(norm = 'frobenius',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.norm.lower() not in normChoices:
|
|
||||||
parser.error('invalid norm ({}) specified.'.format(options.norm))
|
|
||||||
if options.label is None:
|
|
||||||
parser.error('no data column specified.')
|
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
if options.norm.lower() not in normChoices:
|
||||||
|
parser.error('invalid norm ({}) specified.'.format(options.norm))
|
||||||
|
if options.labels is None:
|
||||||
|
parser.error('no data column specified.')
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
damask.util.report(scriptName,name)
|
||||||
table = damask.ASCIItable(name = name,
|
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
for label in options.labels:
|
||||||
|
data = table.get(label)
|
||||||
|
data_norm = np.empty((data.shape[0],1))
|
||||||
|
for i,d in enumerate(data):
|
||||||
|
data_norm[i] = norm(options.norm.capitalize(),d)
|
||||||
|
|
||||||
table.head_read()
|
table.add('norm{}({})'.format(options.norm.capitalize(),label),
|
||||||
|
data_norm,
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
|
|
||||||
errors = []
|
|
||||||
remarks = []
|
|
||||||
columns = []
|
|
||||||
dims = []
|
|
||||||
|
|
||||||
for what in options.label:
|
|
||||||
dim = table.label_dimension(what)
|
|
||||||
if dim < 0: remarks.append('column {} not found...'.format(what))
|
|
||||||
else:
|
|
||||||
dims.append(dim)
|
|
||||||
columns.append(table.label_index(what))
|
|
||||||
table.labels_append('norm{}({})'.format(options.norm.capitalize(),what)) # extend ASCII header with new labels
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
|
||||||
|
|
||||||
outputAlive = True
|
|
||||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
|
||||||
for column,dim in zip(columns,dims):
|
|
||||||
table.data_append(norm(options.norm.capitalize(),
|
|
||||||
map(float,table.data[column:column+dim])))
|
|
||||||
outputAlive = table.data_write() # output processed line
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close input ASCII table (works for stdin)
|
|
||||||
|
|
|
||||||
|
|
@ -125,9 +125,10 @@ R = damask.Rotation.fromAxisAngle(np.array(options.labrotation),options.degrees,
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
try:
|
||||||
buffered = False)
|
table = damask.ASCIItable(name = name, buffered = False)
|
||||||
except Exception: continue
|
except IOError:
|
||||||
|
continue
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
# ------------------------------------------ read header ------------------------------------------
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
@ -42,52 +43,23 @@ parser.set_defaults(pole = (1.0,0.0,0.0),
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
pole = np.array(options.pole)
|
pole = np.array(options.pole)
|
||||||
pole /= np.linalg.norm(pole)
|
pole /= np.linalg.norm(pole)
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
damask.util.report(scriptName,name)
|
||||||
table = damask.ASCIItable(name = name,
|
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
orientation = table.get(options.quaternion)
|
||||||
|
poles = np.empty((orientation.shape[0],2))
|
||||||
|
for i,o in enumerate(orientation):
|
||||||
|
rotatedPole = damask.Rotation(o)*pole # rotate pole according to crystal orientation
|
||||||
|
(x,y) = rotatedPole[0:2]/(1.+abs(pole[2])) # stereographic projection
|
||||||
|
poles[i] = [np.sqrt(x*x+y*y),np.arctan2(y,x)] if options.polar else [x,y] # cartesian coordinates
|
||||||
|
|
||||||
table.head_read()
|
table.add('pole_{}{}{}'.format(*options.pole),
|
||||||
|
poles,
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
if not table.label_dimension(options.quaternion) == 4:
|
|
||||||
damask.util.croak('input {} does not have dimension 4.'.format(options.quaternion))
|
|
||||||
table.close(dismiss = True) # close ASCIItable and remove empty file
|
|
||||||
continue
|
|
||||||
|
|
||||||
column = table.label_index(options.quaternion)
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
table.labels_append(['{}_pole_{}{}{}'.format(i+1,*options.pole) for i in range(2)])
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
|
||||||
outputAlive = True
|
|
||||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
|
||||||
o = damask.Rotation(np.array(list(map(float,table.data[column:column+4]))))
|
|
||||||
|
|
||||||
rotatedPole = o*pole # rotate pole according to crystal orientation
|
|
||||||
(x,y) = rotatedPole[0:2]/(1.+abs(pole[2])) # stereographic projection
|
|
||||||
|
|
||||||
table.data_append([np.sqrt(x*x+y*y),np.arctan2(y,x)] if options.polar else [x,y]) # cartesian coordinates
|
|
||||||
|
|
||||||
outputAlive = table.data_write() # output processed line
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
|
|
|
||||||
|
|
@ -2,25 +2,24 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
||||||
|
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
def operator(stretch,strain,eigenvalues):
|
def parameters(stretch,strain):
|
||||||
"""Albrecht Bertram: Elasticity and Plasticity of Large Deformations An Introduction (3rd Edition, 2012), p. 102."""
|
"""Albrecht Bertram: Elasticity and Plasticity of Large Deformations An Introduction (3rd Edition, 2012), p. 102."""
|
||||||
return {
|
return {
|
||||||
'V#ln': np.log(eigenvalues) ,
|
'V#ln': ('V',0.0),
|
||||||
'U#ln': np.log(eigenvalues) ,
|
'U#ln': ('U',0.0),
|
||||||
'V#Biot': ( np.ones(3,'d') - 1.0/eigenvalues ) ,
|
'V#Biot': ('V',-.5),
|
||||||
'U#Biot': ( eigenvalues - np.ones(3,'d') ) ,
|
'U#Biot': ('U',+.5),
|
||||||
'V#Green': ( np.ones(3,'d') - 1.0/eigenvalues/eigenvalues) *0.5,
|
'V#Green': ('V',-1.),
|
||||||
'U#Green': ( eigenvalues*eigenvalues - np.ones(3,'d')) *0.5,
|
'U#Green': ('U',+1.),
|
||||||
}[stretch+'#'+strain]
|
}[stretch+'#'+strain]
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -64,9 +63,10 @@ parser.set_defaults(
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
if len(options.defgrad) > 1:
|
if len(options.defgrad) > 1:
|
||||||
options.defgrad = options.defgrad[1:]
|
options.defgrad = options.defgrad[1:]
|
||||||
|
|
||||||
stretches = []
|
stretches = []
|
||||||
strains = []
|
strains = []
|
||||||
|
|
@ -78,84 +78,21 @@ if options.biot: strains.append('Biot')
|
||||||
if options.green: strains.append('Green')
|
if options.green: strains.append('Green')
|
||||||
|
|
||||||
if options.defgrad is None:
|
if options.defgrad is None:
|
||||||
parser.error('no data column specified.')
|
parser.error('no data column specified.')
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
damask.util.report(scriptName,name)
|
||||||
table = damask.ASCIItable(name = name,
|
|
||||||
buffered = False)
|
|
||||||
except IOError: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
|
||||||
table.head_read()
|
for defgrad in options.defgrad:
|
||||||
|
F = table.get(defgrad).reshape((-1,3,3))
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
|
||||||
|
|
||||||
items = {
|
|
||||||
'tensor': {'dim': 9, 'shape': [3,3], 'labels':options.defgrad, 'column': []},
|
|
||||||
}
|
|
||||||
errors = []
|
|
||||||
remarks = []
|
|
||||||
|
|
||||||
for type, data in items.items():
|
|
||||||
for what in data['labels']:
|
|
||||||
dim = table.label_dimension(what)
|
|
||||||
if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type))
|
|
||||||
else:
|
|
||||||
items[type]['column'].append(table.label_index(what))
|
|
||||||
for theStretch in stretches:
|
for theStretch in stretches:
|
||||||
for theStrain in strains:
|
for theStrain in strains:
|
||||||
table.labels_append(['{}_{}({}){}'.format(i+1, # extend ASCII header with new labels
|
(t,m) = parameters(theStretch,theStrain)
|
||||||
theStrain,
|
label = '{}({}){}'.format(theStrain,theStretch,defgrad if defgrad != 'f' else '')
|
||||||
theStretch,
|
table.add(label,
|
||||||
what if what != 'f' else '') for i in range(9)])
|
damask.mechanics.strain_tensor(F,t,m).reshape((-1,9)),
|
||||||
|
scriptID+' '+' '.join(sys.argv[1:]))
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
|
||||||
|
|
||||||
stretch = {}
|
|
||||||
outputAlive = True
|
|
||||||
|
|
||||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
|
||||||
for column in items['tensor']['column']: # loop over all requested defgrads
|
|
||||||
F = np.array(list(map(float,table.data[column:column+items['tensor']['dim']])),'d').reshape(items['tensor']['shape'])
|
|
||||||
(U,S,Vh) = np.linalg.svd(F) # singular value decomposition
|
|
||||||
R_inv = np.dot(U,Vh).T # rotation of polar decomposition
|
|
||||||
stretch['U'] = np.dot(R_inv,F) # F = RU
|
|
||||||
stretch['V'] = np.dot(F,R_inv) # F = VR
|
|
||||||
|
|
||||||
for theStretch in stretches:
|
|
||||||
stretch[theStretch] = np.where(abs(stretch[theStretch]) < 1e-12, 0, stretch[theStretch]) # kill nasty noisy data
|
|
||||||
(D,V) = np.linalg.eigh((stretch[theStretch]+stretch[theStretch].T)*0.5) # eigen decomposition (of symmetric(ed) matrix)
|
|
||||||
neg = np.where(D < 0.0) # find negative eigenvalues ...
|
|
||||||
D[neg] *= -1. # ... flip value ...
|
|
||||||
V[:,neg] *= -1. # ... and vector
|
|
||||||
for theStrain in strains:
|
|
||||||
d = operator(theStretch,theStrain,D) # operate on eigenvalues of U or V
|
|
||||||
eps = np.dot(V,np.dot(np.diag(d),V.T)).reshape(9) # build tensor back from eigenvalue/vector basis
|
|
||||||
|
|
||||||
table.data_append(list(eps))
|
|
||||||
|
|
||||||
# ------------------------------------------ output result -----------------------------------------
|
|
||||||
|
|
||||||
outputAlive = table.data_write() # output processed line
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
@ -25,56 +26,19 @@ parser.add_option('-a', '--add','--table',
|
||||||
help = 'tables to add')
|
help = 'tables to add')
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.table is None:
|
|
||||||
parser.error('no table specified.')
|
|
||||||
|
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
if options.table is None:
|
||||||
|
parser.error('no table specified.')
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
damask.util.report(scriptName,name)
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
|
|
||||||
damask.util.report(scriptName,name)
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
|
||||||
tables = []
|
for addTable in options.table:
|
||||||
for addTable in options.table:
|
table2 = damask.Table.from_ASCII(addTable)
|
||||||
try: tables.append(damask.ASCIItable(name = addTable,
|
table2.data = table2.data[:table.data.shape[0]]
|
||||||
buffered = False,
|
table.join(table2)
|
||||||
readonly = True)
|
|
||||||
)
|
|
||||||
except: continue
|
|
||||||
|
|
||||||
# ------------------------------------------ read headers ------------------------------------------
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
|
|
||||||
table.head_read()
|
|
||||||
for addTable in tables: addTable.head_read()
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
|
|
||||||
for addTable in tables: table.labels_append(addTable.labels(raw = True)) # extend ASCII header with new labels
|
|
||||||
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
|
||||||
|
|
||||||
outputAlive = True
|
|
||||||
while outputAlive and table.data_read():
|
|
||||||
for addTable in tables:
|
|
||||||
outputAlive = addTable.data_read() # read next table's data
|
|
||||||
if not outputAlive: break
|
|
||||||
table.data_append(addTable.data) # append to master table
|
|
||||||
if outputAlive:
|
|
||||||
outputAlive = table.data_write() # output processed line
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
for addTable in tables:
|
|
||||||
addTable.close()
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
@ -49,6 +50,7 @@ parser.set_defaults(pos = 'pos',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
packing = np.array(options.packing,dtype = int)
|
packing = np.array(options.packing,dtype = int)
|
||||||
shift = np.array(options.shift, dtype = int)
|
shift = np.array(options.shift, dtype = int)
|
||||||
|
|
@ -56,46 +58,14 @@ shift = np.array(options.shift, dtype = int)
|
||||||
prefix = 'averagedDown{}x{}x{}_'.format(*packing)
|
prefix = 'averagedDown{}x{}x{}_'.format(*packing)
|
||||||
if any(shift != 0): prefix += 'shift{:+}{:+}{:+}_'.format(*shift)
|
if any(shift != 0): prefix += 'shift{:+}{:+}{:+}_'.format(*shift)
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
|
||||||
outname = os.path.join(os.path.dirname(name),
|
|
||||||
prefix+os.path.basename(name)) if name else name,
|
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
|
||||||
table.head_read()
|
|
||||||
|
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
|
||||||
|
|
||||||
errors = []
|
|
||||||
remarks = []
|
|
||||||
|
|
||||||
if table.label_dimension(options.pos) != 3: errors.append('coordinates {} are not a vector.'.format(options.pos))
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray()
|
|
||||||
|
|
||||||
if (options.grid is None or options.size is None):
|
if (options.grid is None or options.size is None):
|
||||||
grid,size = damask.util.coordGridAndSize(table.data[:,table.label_indexrange(options.pos)])
|
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
|
||||||
else:
|
else:
|
||||||
grid = np.array(options.grid,'i')
|
grid = np.array(options.grid,'i')
|
||||||
size = np.array(options.size,'d')
|
size = np.array(options.size,'d')
|
||||||
|
|
@ -104,37 +74,25 @@ for name in filenames:
|
||||||
shift = np.where(grid == 1,0,shift) # reset shift to 0 where grid==1
|
shift = np.where(grid == 1,0,shift) # reset shift to 0 where grid==1
|
||||||
packedGrid = np.maximum(np.ones(3,'i'),grid//packing)
|
packedGrid = np.maximum(np.ones(3,'i'),grid//packing)
|
||||||
|
|
||||||
|
data = table.data.values.reshape(tuple(grid)+(-1,),order = 'F')
|
||||||
averagedDown = scipy.ndimage.filters.uniform_filter( \
|
averagedDown = scipy.ndimage.filters.uniform_filter( \
|
||||||
np.roll(
|
np.roll(
|
||||||
np.roll(
|
np.roll(
|
||||||
np.roll(table.data.reshape(list(grid)+[table.data.shape[1]],order = 'F'),
|
np.roll(data,
|
||||||
-shift[0],axis = 0),
|
-shift[0],axis = 0),
|
||||||
-shift[1],axis = 1),
|
-shift[1],axis = 1),
|
||||||
-shift[2],axis = 2),
|
-shift[2],axis = 2),
|
||||||
size = list(packing) + [1],
|
size = list(packing) + [1],
|
||||||
mode = 'wrap',
|
mode = 'wrap',
|
||||||
origin = list(-(packing//2)) + [0])\
|
origin = list(-(packing//2)) + [0])\
|
||||||
[::packing[0],::packing[1],::packing[2],:].reshape((packedGrid.prod(),table.data.shape[1]),order = 'F')
|
[::packing[0],::packing[1],::packing[2],:].reshape((packedGrid.prod(),-1),order = 'F')
|
||||||
|
|
||||||
|
|
||||||
table.data = averagedDown
|
table = damask.Table(averagedDown,table.shapes,table.comments)
|
||||||
|
|
||||||
#--- generate grid --------------------------------------------------------------------------------
|
coords = damask.grid_filters.cell_coord0(packedGrid,size,shift/packedGrid*size+origin)
|
||||||
|
table.set(options.pos, coords.reshape((-1,3)))
|
||||||
|
|
||||||
x = (0.5 + shift[0] + np.arange(packedGrid[0],dtype=float))/packedGrid[0]*size[0]
|
|
||||||
y = (0.5 + shift[1] + np.arange(packedGrid[1],dtype=float))/packedGrid[1]*size[1]
|
|
||||||
z = (0.5 + shift[2] + np.arange(packedGrid[2],dtype=float))/packedGrid[2]*size[2]
|
|
||||||
|
|
||||||
xx = np.tile( x, packedGrid[1]* packedGrid[2])
|
outname = os.path.join(os.path.dirname(name),prefix+os.path.basename(name))
|
||||||
yy = np.tile(np.repeat(y,packedGrid[0] ),packedGrid[2])
|
table.to_ASCII(sys.stdout if name is None else outname)
|
||||||
zz = np.repeat(z,packedGrid[0]*packedGrid[1])
|
|
||||||
|
|
||||||
table.data[:,table.label_indexrange(options.pos)] = np.squeeze(np.dstack((xx,yy,zz)))
|
|
||||||
|
|
||||||
# ------------------------------------------ output result -----------------------------------------
|
|
||||||
|
|
||||||
table.data_writeArray()
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
|
|
|
||||||
|
|
@ -2,8 +2,10 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
|
from scipy import ndimage
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
@ -42,81 +44,29 @@ parser.set_defaults(pos = 'pos',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
options.packing = np.array(options.packing)
|
options.packing = np.array(options.packing)
|
||||||
prefix = 'blowUp{}x{}x{}_'.format(*options.packing)
|
prefix = 'blowUp{}x{}x{}_'.format(*options.packing)
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
|
||||||
outname = os.path.join(os.path.dirname(name),
|
|
||||||
prefix+os.path.basename(name)) if name else name,
|
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
|
||||||
table.head_read()
|
|
||||||
|
|
||||||
# ------------------------------------------ sanity checks ----------------------------------------
|
|
||||||
|
|
||||||
errors = []
|
|
||||||
remarks = []
|
|
||||||
|
|
||||||
if table.label_dimension(options.pos) != 3: errors.append('coordinates "{}" are not a vector.'.format(options.pos))
|
|
||||||
|
|
||||||
colElem = table.label_index('elem')
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray(options.pos)
|
|
||||||
table.data_rewind()
|
|
||||||
|
|
||||||
grid,size = damask.util.coordGridAndSize(table.data)
|
|
||||||
|
|
||||||
packing = np.array(options.packing,'i')
|
packing = np.array(options.packing,'i')
|
||||||
outSize = grid*packing
|
outSize = grid*packing
|
||||||
|
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
data = table.data.values.reshape(tuple(grid)+(-1,))
|
||||||
|
blownUp = ndimage.interpolation.zoom(data,tuple(packing)+(1,),order=0,mode='nearest').reshape((outSize.prod(),-1))
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
table = damask.Table(blownUp,table.shapes,table.comments)
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ process data -------------------------------------------
|
coords = damask.grid_filters.cell_coord0(outSize,size,origin)
|
||||||
|
table.set(options.pos,coords.reshape((-1,3)))
|
||||||
|
table.set('elem',np.arange(1,outSize.prod()+1))
|
||||||
|
|
||||||
data = np.zeros(outSize.tolist()+[len(table.labels(raw = True))])
|
outname = os.path.join(os.path.dirname(name),prefix+os.path.basename(name))
|
||||||
p = np.zeros(3,'i')
|
table.to_ASCII(sys.stdout if name is None else outname)
|
||||||
|
|
||||||
for p[2] in range(grid[2]):
|
|
||||||
for p[1] in range(grid[1]):
|
|
||||||
for p[0] in range(grid[0]):
|
|
||||||
d = p*packing
|
|
||||||
table.data_read()
|
|
||||||
data[d[0]:d[0]+packing[0],
|
|
||||||
d[1]:d[1]+packing[1],
|
|
||||||
d[2]:d[2]+packing[2],
|
|
||||||
: ] = np.tile(np.array(table.data_asFloat(),'d'),packing.tolist()+[1]) # tile to match blowUp voxel size
|
|
||||||
elementSize = size/grid/packing
|
|
||||||
elem = 1
|
|
||||||
for c in range(outSize[2]):
|
|
||||||
for b in range(outSize[1]):
|
|
||||||
for a in range(outSize[0]):
|
|
||||||
data[a,b,c,table.label_indexrange(options.pos)] = [a+0.5,b+0.5,c+0.5]*elementSize
|
|
||||||
if colElem != -1: data[a,b,c,colElem] = elem
|
|
||||||
table.data = data[a,b,c,:].tolist()
|
|
||||||
outputAlive = table.data_write() # output processed line
|
|
||||||
elem += 1
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close input ASCII table (works for stdin)
|
|
||||||
|
|
|
||||||
|
|
@ -2,10 +2,9 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import numpy as np
|
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
|
|
@ -27,53 +26,18 @@ parser.add_option('-a', '--add','--table',
|
||||||
help = 'tables to add')
|
help = 'tables to add')
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.table is None:
|
|
||||||
parser.error('no table specified.')
|
|
||||||
|
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
if options.table is None:
|
||||||
|
parser.error('no table specified.')
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
damask.util.report(scriptName,name)
|
||||||
buffered = False)
|
|
||||||
except: continue
|
|
||||||
|
|
||||||
damask.util.report(scriptName,name)
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
|
||||||
tables = []
|
for growTable in options.table:
|
||||||
for addTable in options.table:
|
table2 = damask.Table.from_ASCII(growTable)
|
||||||
try: tables.append(damask.ASCIItable(name = addTable,
|
table.append(table2)
|
||||||
buffered = False,
|
|
||||||
readonly = True)
|
|
||||||
)
|
|
||||||
except: continue
|
|
||||||
|
|
||||||
# ------------------------------------------ read headers ------------------------------------------
|
table.to_ASCII(sys.stdout if name is None else name)
|
||||||
|
|
||||||
table.head_read()
|
|
||||||
for addTable in tables: addTable.head_read()
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
|
||||||
|
|
||||||
table.head_write()
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray()
|
|
||||||
data = table.data
|
|
||||||
for addTable in tables:
|
|
||||||
addTable.data_readArray(table.labels(raw = True))
|
|
||||||
data = np.vstack((data,addTable.data))
|
|
||||||
table.data = data
|
|
||||||
table.data_writeArray()
|
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII tables
|
|
||||||
for addTable in tables:
|
|
||||||
addTable.close()
|
|
||||||
|
|
|
||||||
|
|
@ -1,8 +1,9 @@
|
||||||
#!/usr/bin/env python3
|
#!/usr/bin/env python3
|
||||||
|
|
||||||
import os
|
import os
|
||||||
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
from collections import defaultdict
|
|
||||||
|
|
||||||
import vtk
|
import vtk
|
||||||
from vtk.util import numpy_support
|
from vtk.util import numpy_support
|
||||||
|
|
@ -18,11 +19,10 @@ scriptID = ' '.join([scriptName,damask.version])
|
||||||
# MAIN
|
# MAIN
|
||||||
# --------------------------------------------------------------------
|
# --------------------------------------------------------------------
|
||||||
|
|
||||||
msg = "Add scalars, vectors, and/or an RGB tuple from"
|
|
||||||
msg += "an ASCIItable to existing VTK grid (.vtr/.vtk/.vtu)."
|
|
||||||
parser = OptionParser(option_class=damask.extendableOption,
|
parser = OptionParser(option_class=damask.extendableOption,
|
||||||
usage='%prog options [ASCIItable(s)]',
|
usage='%prog options [ASCIItable(s)]',
|
||||||
description = msg,
|
description = "Add scalars, vectors, tensors, and/or an RGB tuple from ASCIItable "
|
||||||
|
+ "to existing VTK grid (.vtr/.vtk/.vtu).",
|
||||||
version = scriptID)
|
version = scriptID)
|
||||||
|
|
||||||
parser.add_option( '--vtk',
|
parser.add_option( '--vtk',
|
||||||
|
|
@ -49,10 +49,10 @@ parser.add_option('-c', '--color',
|
||||||
parser.set_defaults(data = [],
|
parser.set_defaults(data = [],
|
||||||
tensor = [],
|
tensor = [],
|
||||||
color = [],
|
color = [],
|
||||||
render = False,
|
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
if not options.vtk: parser.error('No VTK file specified.')
|
if not options.vtk: parser.error('No VTK file specified.')
|
||||||
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
|
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
|
||||||
|
|
@ -87,65 +87,28 @@ Ncells = rGrid.GetNumberOfCells()
|
||||||
|
|
||||||
damask.util.croak('{}: {} points and {} cells...'.format(options.vtk,Npoints,Ncells))
|
damask.util.croak('{}: {} points and {} cells...'.format(options.vtk,Npoints,Ncells))
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
damask.util.report(scriptName,name)
|
||||||
buffered = False,
|
|
||||||
readonly = True)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName, name)
|
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
|
||||||
table.head_read()
|
|
||||||
|
|
||||||
remarks = []
|
|
||||||
errors = []
|
|
||||||
VTKarray = {}
|
VTKarray = {}
|
||||||
active = defaultdict(list)
|
for data in options.data:
|
||||||
|
VTKarray[data] = numpy_support.numpy_to_vtk(table.get(data).copy(),
|
||||||
|
deep=True,array_type=vtk.VTK_DOUBLE)
|
||||||
|
VTKarray[data].SetName(data)
|
||||||
|
|
||||||
for datatype,dimension,label in [['data',99,options.data],
|
for color in options.color:
|
||||||
['tensor',9,options.tensor],
|
VTKarray[color] = numpy_support.numpy_to_vtk((table.get(color)*255).astype(int).copy(),
|
||||||
['color' ,3,options.color],
|
deep=True,array_type=vtk.VTK_UNSIGNED_CHAR)
|
||||||
]:
|
VTKarray[color].SetName(color)
|
||||||
for i,dim in enumerate(table.label_dimension(label)):
|
|
||||||
me = label[i]
|
|
||||||
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
|
|
||||||
elif dim > dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
|
|
||||||
else:
|
|
||||||
remarks.append('adding {} "{}"...'.format(datatype,me))
|
|
||||||
active[datatype].append(me)
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
for tensor in options.tensor:
|
||||||
if errors != []:
|
data = damask.mechanics.symmetric(table.get(tensor).reshape((-1,3,3))).reshape((-1,9))
|
||||||
damask.util.croak(errors)
|
VTKarray[tensor] = numpy_support.numpy_to_vtk(data.copy(),
|
||||||
table.close(dismiss = True)
|
deep=True,array_type=vtk.VTK_DOUBLE)
|
||||||
continue
|
VTKarray[tensor].SetName(tensor)
|
||||||
|
|
||||||
# ------------------------------------------ process data ---------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray([item for sublist in active.values() for item in sublist]) # read all requested data
|
|
||||||
|
|
||||||
for datatype,labels in active.items(): # loop over scalar,color
|
|
||||||
for me in labels: # loop over all requested items
|
|
||||||
VTKtype = vtk.VTK_DOUBLE
|
|
||||||
VTKdata = table.data[:, table.label_indexrange(me)].copy() # copy to force contiguous layout
|
|
||||||
|
|
||||||
if datatype == 'color':
|
|
||||||
VTKtype = vtk.VTK_UNSIGNED_CHAR
|
|
||||||
VTKdata = (VTKdata*255).astype(int) # translate to 0..255 UCHAR
|
|
||||||
elif datatype == 'tensor':
|
|
||||||
VTKdata[:,1] = VTKdata[:,3] = 0.5*(VTKdata[:,1]+VTKdata[:,3])
|
|
||||||
VTKdata[:,2] = VTKdata[:,6] = 0.5*(VTKdata[:,2]+VTKdata[:,6])
|
|
||||||
VTKdata[:,5] = VTKdata[:,7] = 0.5*(VTKdata[:,5]+VTKdata[:,7])
|
|
||||||
|
|
||||||
VTKarray[me] = numpy_support.numpy_to_vtk(num_array=VTKdata,deep=True,array_type=VTKtype)
|
|
||||||
VTKarray[me].SetName(me)
|
|
||||||
|
|
||||||
table.close() # close input ASCII table
|
|
||||||
|
|
||||||
# ------------------------------------------ add data ---------------------------------------
|
# ------------------------------------------ add data ---------------------------------------
|
||||||
|
|
||||||
|
|
@ -157,16 +120,10 @@ for name in filenames:
|
||||||
|
|
||||||
damask.util.croak('{} mode...'.format(mode))
|
damask.util.croak('{} mode...'.format(mode))
|
||||||
|
|
||||||
for datatype,labels in active.items(): # loop over scalar,color
|
for data in VTKarray:
|
||||||
if datatype == 'color':
|
if mode == 'cell': rGrid.GetCellData().AddArray(VTKarray[data])
|
||||||
if mode == 'cell': rGrid.GetCellData().SetScalars(VTKarray[active['color'][0]])
|
elif mode == 'point': rGrid.GetPointData().AddArray(VTKarray[data])
|
||||||
elif mode == 'point': rGrid.GetPointData().SetScalars(VTKarray[active['color'][0]])
|
|
||||||
for me in labels: # loop over all requested items
|
|
||||||
if mode == 'cell': rGrid.GetCellData().AddArray(VTKarray[me])
|
|
||||||
elif mode == 'point': rGrid.GetPointData().AddArray(VTKarray[me])
|
|
||||||
|
|
||||||
rGrid.Modified()
|
rGrid.Modified()
|
||||||
if vtk.VTK_MAJOR_VERSION <= 5: rGrid.Update()
|
|
||||||
|
|
||||||
# ------------------------------------------ output result ---------------------------------------
|
# ------------------------------------------ output result ---------------------------------------
|
||||||
|
|
||||||
|
|
@ -184,7 +141,7 @@ if options.render:
|
||||||
actor.SetMapper(mapper)
|
actor.SetMapper(mapper)
|
||||||
|
|
||||||
# Create the graphics structure. The renderer renders into the
|
# Create the graphics structure. The renderer renders into the
|
||||||
# render window. The render window interactor captures mouse events
|
# render window. The render window interactively captures mouse events
|
||||||
# and will perform appropriate camera or actor manipulation
|
# and will perform appropriate camera or actor manipulation
|
||||||
# depending on the nature of the events.
|
# depending on the nature of the events.
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -1,8 +1,9 @@
|
||||||
#!/usr/bin/env python3
|
#!/usr/bin/env python3
|
||||||
|
|
||||||
import os
|
import os
|
||||||
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
from collections import defaultdict
|
|
||||||
|
|
||||||
import vtk
|
import vtk
|
||||||
from vtk.util import numpy_support
|
from vtk.util import numpy_support
|
||||||
|
|
@ -20,7 +21,8 @@ scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
parser = OptionParser(option_class=damask.extendableOption,
|
parser = OptionParser(option_class=damask.extendableOption,
|
||||||
usage='%prog options [ASCIItable(s)]',
|
usage='%prog options [ASCIItable(s)]',
|
||||||
description = """Add scalar and RGB tuples from ASCIItable to existing VTK point cloud (.vtp).""",
|
description = "Add scalars, vectors, tensors, and/or an RGB tuple from ASCIItable "
|
||||||
|
+ "VTK point cloud (.vtp).",
|
||||||
version = scriptID)
|
version = scriptID)
|
||||||
|
|
||||||
parser.add_option( '--vtk',
|
parser.add_option( '--vtk',
|
||||||
|
|
@ -39,9 +41,10 @@ parser.add_option('-t', '--tensor',
|
||||||
dest = 'tensor',
|
dest = 'tensor',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'tensor (3x3) value label(s)')
|
help = 'tensor (3x3) value label(s)')
|
||||||
parser.add_option('-c', '--color', dest='color', action='extend',
|
parser.add_option('-c', '--color',
|
||||||
metavar ='<string LIST>',
|
dest = 'color',
|
||||||
help = 'RGB color tuples')
|
action = 'extend', metavar = '<string LIST>',
|
||||||
|
help = 'RGB color tuple label')
|
||||||
|
|
||||||
parser.set_defaults(data = [],
|
parser.set_defaults(data = [],
|
||||||
tensor = [],
|
tensor = [],
|
||||||
|
|
@ -49,8 +52,9 @@ parser.set_defaults(data = [],
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
if not options.vtk: parser.error('no VTK file specified.')
|
if not options.vtk: parser.error('No VTK file specified.')
|
||||||
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
|
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
|
||||||
|
|
||||||
vtk_file,vtk_ext = os.path.splitext(options.vtk)
|
vtk_file,vtk_ext = os.path.splitext(options.vtk)
|
||||||
|
|
@ -77,81 +81,35 @@ if Npoints != Ncells or Npoints != Nvertices:
|
||||||
|
|
||||||
damask.util.croak('{}: {} points/vertices/cells...'.format(options.vtk,Npoints))
|
damask.util.croak('{}: {} points/vertices/cells...'.format(options.vtk,Npoints))
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
damask.util.report(scriptName,name)
|
||||||
buffered = False,
|
|
||||||
readonly = True)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName, name)
|
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
|
||||||
table.head_read()
|
|
||||||
|
|
||||||
remarks = []
|
|
||||||
errors = []
|
|
||||||
VTKarray = {}
|
VTKarray = {}
|
||||||
active = defaultdict(list)
|
for data in options.data:
|
||||||
|
VTKarray[data] = numpy_support.numpy_to_vtk(table.get(data).copy(),
|
||||||
|
deep=True,array_type=vtk.VTK_DOUBLE)
|
||||||
|
VTKarray[data].SetName(data)
|
||||||
|
|
||||||
for datatype,dimension,label in [['data',0,options.data],
|
for color in options.color:
|
||||||
['tensor',9,options.tensor],
|
VTKarray[color] = numpy_support.numpy_to_vtk((table.get(color)*255).astype(int).copy(),
|
||||||
['color' ,3,options.color],
|
deep=True,array_type=vtk.VTK_UNSIGNED_CHAR)
|
||||||
]:
|
VTKarray[color].SetName(color)
|
||||||
for i,dim in enumerate(table.label_dimension(label)):
|
|
||||||
me = label[i]
|
|
||||||
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
|
|
||||||
elif dimension > 0 \
|
|
||||||
and dim != dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
|
|
||||||
else:
|
|
||||||
remarks.append('adding {}{} "{}"...'.format(datatype if dim > 1 else 'scalar',
|
|
||||||
'' if dimension > 0 or dim == 1 else '[{}]'.format(dim),
|
|
||||||
me))
|
|
||||||
active[datatype].append(me)
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
for tensor in options.tensor:
|
||||||
if errors != []:
|
data = damask.mechanics.symmetric(table.get(tensor).reshape((-1,3,3))).reshape((-1,9))
|
||||||
damask.util.croak(errors)
|
VTKarray[tensor] = numpy_support.numpy_to_vtk(data.copy(),
|
||||||
table.close(dismiss = True)
|
deep=True,array_type=vtk.VTK_DOUBLE)
|
||||||
continue
|
VTKarray[tensor].SetName(tensor)
|
||||||
|
|
||||||
# --------------------------------------- process and add data -----------------------------------
|
|
||||||
|
|
||||||
table.data_readArray([item for sublist in active.values() for item in sublist]) # read all requested data
|
|
||||||
|
|
||||||
for datatype,labels in active.items(): # loop over scalar,color
|
|
||||||
for me in labels: # loop over all requested items
|
|
||||||
VTKtype = vtk.VTK_DOUBLE
|
|
||||||
VTKdata = table.data[:, table.label_indexrange(me)].copy() # copy to force contiguous layout
|
|
||||||
|
|
||||||
if datatype == 'color':
|
|
||||||
VTKtype = vtk.VTK_UNSIGNED_CHAR
|
|
||||||
VTKdata = (VTKdata*255).astype(int) # translate to 0..255 UCHAR
|
|
||||||
elif datatype == 'tensor':
|
|
||||||
VTKdata[:,1] = VTKdata[:,3] = 0.5*(VTKdata[:,1]+VTKdata[:,3])
|
|
||||||
VTKdata[:,2] = VTKdata[:,6] = 0.5*(VTKdata[:,2]+VTKdata[:,6])
|
|
||||||
VTKdata[:,5] = VTKdata[:,7] = 0.5*(VTKdata[:,5]+VTKdata[:,7])
|
|
||||||
|
|
||||||
VTKarray[me] = numpy_support.numpy_to_vtk(num_array=VTKdata,deep=True,array_type=VTKtype)
|
|
||||||
VTKarray[me].SetName(me)
|
|
||||||
|
|
||||||
if datatype == 'color':
|
|
||||||
Polydata.GetPointData().SetScalars(VTKarray[me])
|
|
||||||
Polydata.GetCellData().SetScalars(VTKarray[me])
|
|
||||||
else:
|
|
||||||
Polydata.GetPointData().AddArray(VTKarray[me])
|
|
||||||
Polydata.GetCellData().AddArray(VTKarray[me])
|
|
||||||
|
|
||||||
|
|
||||||
table.input_close() # close input ASCII table
|
for data in VTKarray:
|
||||||
|
Polydata.GetPointData().AddArray(VTKarray[data])
|
||||||
|
Polydata.Modified()
|
||||||
|
|
||||||
# ------------------------------------------ output result ---------------------------------------
|
# ------------------------------------------ output result ---------------------------------------
|
||||||
|
|
||||||
Polydata.Modified()
|
|
||||||
|
|
||||||
writer = vtk.vtkXMLPolyDataWriter()
|
writer = vtk.vtkXMLPolyDataWriter()
|
||||||
writer.SetDataModeToBinary()
|
writer.SetDataModeToBinary()
|
||||||
writer.SetCompressorTypeToZLib()
|
writer.SetCompressorTypeToZLib()
|
||||||
|
|
|
||||||
|
|
@ -1,199 +0,0 @@
|
||||||
#!/usr/bin/env python3
|
|
||||||
|
|
||||||
import os
|
|
||||||
from optparse import OptionParser
|
|
||||||
|
|
||||||
from collections import defaultdict
|
|
||||||
|
|
||||||
import vtk
|
|
||||||
from vtk.util import numpy_support
|
|
||||||
|
|
||||||
import damask
|
|
||||||
|
|
||||||
|
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
|
||||||
|
|
||||||
|
|
||||||
# --------------------------------------------------------------------
|
|
||||||
# MAIN
|
|
||||||
# --------------------------------------------------------------------
|
|
||||||
|
|
||||||
msg = "Add scalars, vectors, and/or an RGB tuple from"
|
|
||||||
msg += "an ASCIItable to existing VTK rectilinear grid (.vtr/.vtk)."
|
|
||||||
parser = OptionParser(option_class=damask.extendableOption,
|
|
||||||
usage='%prog options [file[s]]',
|
|
||||||
description = msg,
|
|
||||||
version = scriptID)
|
|
||||||
|
|
||||||
parser.add_option( '--vtk',
|
|
||||||
dest = 'vtk',
|
|
||||||
type = 'string', metavar = 'string',
|
|
||||||
help = 'VTK file name')
|
|
||||||
parser.add_option('-r', '--render',
|
|
||||||
dest = 'render',
|
|
||||||
action = 'store_true',
|
|
||||||
help = 'open output in VTK render window')
|
|
||||||
parser.add_option('-d', '--data',
|
|
||||||
dest = 'data',
|
|
||||||
action = 'extend', metavar = '<string LIST>',
|
|
||||||
help = 'scalar/vector value(s) label(s)')
|
|
||||||
parser.add_option('-t', '--tensor',
|
|
||||||
dest = 'tensor',
|
|
||||||
action = 'extend', metavar = '<string LIST>',
|
|
||||||
help = 'tensor (3x3) value label(s)')
|
|
||||||
parser.add_option('-c', '--color',
|
|
||||||
dest = 'color',
|
|
||||||
action = 'extend', metavar = '<string LIST>',
|
|
||||||
help = 'RGB color tuple label')
|
|
||||||
|
|
||||||
parser.set_defaults(data = [],
|
|
||||||
tensor = [],
|
|
||||||
color = [],
|
|
||||||
render = False,
|
|
||||||
)
|
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
|
||||||
|
|
||||||
if not options.vtk: parser.error('no VTK file specified.')
|
|
||||||
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
|
|
||||||
|
|
||||||
vtk_file,vtk_ext = os.path.splitext(options.vtk)
|
|
||||||
if vtk_ext == '.vtr':
|
|
||||||
reader = vtk.vtkXMLRectilinearGridReader()
|
|
||||||
reader.SetFileName(options.vtk)
|
|
||||||
reader.Update()
|
|
||||||
rGrid = reader.GetOutput()
|
|
||||||
elif vtk_ext == '.vtk':
|
|
||||||
reader = vtk.vtkGenericDataObjectReader()
|
|
||||||
reader.SetFileName(options.vtk)
|
|
||||||
reader.Update()
|
|
||||||
rGrid = reader.GetRectilinearGridOutput()
|
|
||||||
else:
|
|
||||||
parser.error('unsupported VTK file type extension.')
|
|
||||||
|
|
||||||
Npoints = rGrid.GetNumberOfPoints()
|
|
||||||
Ncells = rGrid.GetNumberOfCells()
|
|
||||||
|
|
||||||
damask.util.croak('{}: {} points and {} cells...'.format(options.vtk,Npoints,Ncells))
|
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
|
||||||
try: table = damask.ASCIItable(name = name,
|
|
||||||
buffered = False,
|
|
||||||
readonly = True)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName, name)
|
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
|
||||||
|
|
||||||
table.head_read()
|
|
||||||
|
|
||||||
remarks = []
|
|
||||||
errors = []
|
|
||||||
VTKarray = {}
|
|
||||||
active = defaultdict(list)
|
|
||||||
|
|
||||||
for datatype,dimension,label in [['data',0,options.data],
|
|
||||||
['tensor',9,options.tensor],
|
|
||||||
['color' ,3,options.color],
|
|
||||||
]:
|
|
||||||
for i,dim in enumerate(table.label_dimension(label)):
|
|
||||||
me = label[i]
|
|
||||||
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
|
|
||||||
elif dimension > 0 \
|
|
||||||
and dim != dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
|
|
||||||
else:
|
|
||||||
remarks.append('adding {}{} "{}"...'.format(datatype if dim > 1 else 'scalar',
|
|
||||||
'' if dimension > 0 or dim == 1 else '[{}]'.format(dim),
|
|
||||||
me))
|
|
||||||
active[datatype].append(me)
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ---------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray([item for sublist in active.values() for item in sublist]) # read all requested data
|
|
||||||
|
|
||||||
for datatype,labels in active.items(): # loop over scalar,color
|
|
||||||
for me in labels: # loop over all requested items
|
|
||||||
VTKtype = vtk.VTK_DOUBLE
|
|
||||||
VTKdata = table.data[:, table.label_indexrange(me)].copy() # copy to force contiguous layout
|
|
||||||
|
|
||||||
if datatype == 'color':
|
|
||||||
VTKtype = vtk.VTK_UNSIGNED_CHAR
|
|
||||||
VTKdata = (VTKdata*255).astype(int) # translate to 0..255 UCHAR
|
|
||||||
elif datatype == 'tensor':
|
|
||||||
VTKdata[:,1] = VTKdata[:,3] = 0.5*(VTKdata[:,1]+VTKdata[:,3])
|
|
||||||
VTKdata[:,2] = VTKdata[:,6] = 0.5*(VTKdata[:,2]+VTKdata[:,6])
|
|
||||||
VTKdata[:,5] = VTKdata[:,7] = 0.5*(VTKdata[:,5]+VTKdata[:,7])
|
|
||||||
|
|
||||||
VTKarray[me] = numpy_support.numpy_to_vtk(num_array=VTKdata,deep=True,array_type=VTKtype)
|
|
||||||
VTKarray[me].SetName(me)
|
|
||||||
|
|
||||||
table.close() # close input ASCII table
|
|
||||||
|
|
||||||
# ------------------------------------------ add data ---------------------------------------
|
|
||||||
|
|
||||||
if len(table.data) == Npoints: mode = 'point'
|
|
||||||
elif len(table.data) == Ncells: mode = 'cell'
|
|
||||||
else:
|
|
||||||
damask.util.croak('data count is incompatible with grid...')
|
|
||||||
continue
|
|
||||||
|
|
||||||
damask.util.croak('{} mode...'.format(mode))
|
|
||||||
|
|
||||||
for datatype,labels in active.items(): # loop over scalar,color
|
|
||||||
if datatype == 'color':
|
|
||||||
if mode == 'cell': rGrid.GetCellData().SetScalars(VTKarray[active['color'][0]])
|
|
||||||
elif mode == 'point': rGrid.GetPointData().SetScalars(VTKarray[active['color'][0]])
|
|
||||||
for me in labels: # loop over all requested items
|
|
||||||
if mode == 'cell': rGrid.GetCellData().AddArray(VTKarray[me])
|
|
||||||
elif mode == 'point': rGrid.GetPointData().AddArray(VTKarray[me])
|
|
||||||
|
|
||||||
rGrid.Modified()
|
|
||||||
|
|
||||||
# ------------------------------------------ output result ---------------------------------------
|
|
||||||
|
|
||||||
writer = vtk.vtkXMLRectilinearGridWriter()
|
|
||||||
writer.SetDataModeToBinary()
|
|
||||||
writer.SetCompressorTypeToZLib()
|
|
||||||
writer.SetFileName(vtk_file+'.'+writer.GetDefaultFileExtension())
|
|
||||||
writer.SetInputData(rGrid)
|
|
||||||
writer.Write()
|
|
||||||
|
|
||||||
# ------------------------------------------ render result ---------------------------------------
|
|
||||||
|
|
||||||
if options.render:
|
|
||||||
mapper = vtk.vtkDataSetMapper()
|
|
||||||
mapper.SetInputData(rGrid)
|
|
||||||
actor = vtk.vtkActor()
|
|
||||||
actor.SetMapper(mapper)
|
|
||||||
|
|
||||||
# Create the graphics structure. The renderer renders into the
|
|
||||||
# render window. The render window interactor captures mouse events
|
|
||||||
# and will perform appropriate camera or actor manipulation
|
|
||||||
# depending on the nature of the events.
|
|
||||||
|
|
||||||
ren = vtk.vtkRenderer()
|
|
||||||
|
|
||||||
renWin = vtk.vtkRenderWindow()
|
|
||||||
renWin.AddRenderer(ren)
|
|
||||||
|
|
||||||
ren.AddActor(actor)
|
|
||||||
ren.SetBackground(1, 1, 1)
|
|
||||||
renWin.SetSize(200, 200)
|
|
||||||
|
|
||||||
iren = vtk.vtkRenderWindowInteractor()
|
|
||||||
iren.SetRenderWindow(renWin)
|
|
||||||
|
|
||||||
iren.Initialize()
|
|
||||||
renWin.Render()
|
|
||||||
iren.Start()
|
|
||||||
|
|
@ -2,10 +2,10 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import vtk
|
import vtk
|
||||||
import numpy as np
|
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
||||||
|
|
@ -33,49 +33,20 @@ parser.set_defaults(pos = 'pos',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
|
||||||
buffered = False,
|
|
||||||
readonly = True)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
|
||||||
table.head_read()
|
|
||||||
|
|
||||||
errors = []
|
|
||||||
remarks = []
|
|
||||||
coordDim = table.label_dimension(options.pos)
|
|
||||||
if not 3 >= coordDim >= 1: errors.append('coordinates "{}" need to have one, two, or three dimensions.'.format(options.pos))
|
|
||||||
elif coordDim < 3: remarks.append('appending {} dimension{} to coordinates "{}"...'.format(3-coordDim,
|
|
||||||
's' if coordDim < 2 else '',
|
|
||||||
options.pos))
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss=True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ---------------------------------------
|
# ------------------------------------------ process data ---------------------------------------
|
||||||
|
|
||||||
table.data_readArray(options.pos)
|
|
||||||
if table.data.shape[1] < 3:
|
|
||||||
table.data = np.hstack((table.data,
|
|
||||||
np.zeros((table.data.shape[0],
|
|
||||||
3-table.data.shape[1]),dtype='f'))) # fill coords up to 3D with zeros
|
|
||||||
|
|
||||||
Polydata = vtk.vtkPolyData()
|
Polydata = vtk.vtkPolyData()
|
||||||
Points = vtk.vtkPoints()
|
Points = vtk.vtkPoints()
|
||||||
Vertices = vtk.vtkCellArray()
|
Vertices = vtk.vtkCellArray()
|
||||||
|
|
||||||
for p in table.data:
|
for p in table.get(options.pos):
|
||||||
pointID = Points.InsertNextPoint(p)
|
pointID = Points.InsertNextPoint(p)
|
||||||
Vertices.InsertNextCell(1)
|
Vertices.InsertNextCell(1)
|
||||||
Vertices.InsertCellPoint(pointID)
|
Vertices.InsertCellPoint(pointID)
|
||||||
|
|
@ -104,5 +75,3 @@ for name in filenames:
|
||||||
writer.Write()
|
writer.Write()
|
||||||
|
|
||||||
if name is None: sys.stdout.write(writer.GetOutputString())
|
if name is None: sys.stdout.write(writer.GetOutputString())
|
||||||
|
|
||||||
table.close()
|
|
||||||
|
|
|
||||||
|
|
@ -2,6 +2,7 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import vtk
|
import vtk
|
||||||
|
|
@ -40,48 +41,14 @@ parser.set_defaults(mode = 'cell',
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
|
||||||
buffered = False,
|
|
||||||
labeled = True,
|
|
||||||
readonly = True,
|
|
||||||
)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
|
||||||
table.head_read()
|
|
||||||
|
|
||||||
remarks = []
|
|
||||||
errors = []
|
|
||||||
coordDim = table.label_dimension(options.pos)
|
|
||||||
if not 3 >= coordDim >= 1: errors.append('coordinates "{}" need to have one, two, or three dimensions.'.format(options.pos))
|
|
||||||
elif coordDim < 3: remarks.append('appending {} dimension{} to coordinates "{}"...'.format(3-coordDim,
|
|
||||||
's' if coordDim < 2 else '',
|
|
||||||
options.pos))
|
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss=True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
|
||||||
|
|
||||||
table.data_readArray(options.pos)
|
|
||||||
if table.data.shape[1] < 3:
|
|
||||||
table.data = np.hstack((table.data,
|
|
||||||
np.zeros((table.data.shape[0],
|
|
||||||
3-table.data.shape[1]),dtype='f'))) # fill coords up to 3D with zeros
|
|
||||||
|
|
||||||
coords = [np.unique(table.data[:,i]) for i in range(3)]
|
|
||||||
|
|
||||||
|
coords = [np.unique(table.get(options.pos)[:,i]) for i in range(3)]
|
||||||
if options.mode == 'cell':
|
if options.mode == 'cell':
|
||||||
coords = [0.5 * np.array([3.0 * coords[i][0] - coords[i][0 + int(len(coords[i]) > 1)]] + \
|
coords = [0.5 * np.array([3.0 * coords[i][0] - coords[i][0 + int(len(coords[i]) > 1)]] + \
|
||||||
[coords[i][j-1] + coords[i][j] for j in range(1,len(coords[i]))] + \
|
[coords[i][j-1] + coords[i][j] for j in range(1,len(coords[i]))] + \
|
||||||
|
|
@ -90,13 +57,6 @@ for name in filenames:
|
||||||
grid = np.array(list(map(len,coords)),'i')
|
grid = np.array(list(map(len,coords)),'i')
|
||||||
N = grid.prod() if options.mode == 'point' else (grid-1).prod()
|
N = grid.prod() if options.mode == 'point' else (grid-1).prod()
|
||||||
|
|
||||||
if N != len(table.data):
|
|
||||||
errors.append('data count {} does not match grid {}x{}x{}.'.format(N,*(grid - (options.mode == 'cell')) ))
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# ------------------------------------------ process data ---------------------------------------
|
# ------------------------------------------ process data ---------------------------------------
|
||||||
|
|
||||||
rGrid = vtk.vtkRectilinearGrid()
|
rGrid = vtk.vtkRectilinearGrid()
|
||||||
|
|
@ -135,5 +95,3 @@ for name in filenames:
|
||||||
writer.Write()
|
writer.Write()
|
||||||
|
|
||||||
if name is None: sys.stdout.write(writer.GetOutputString())
|
if name is None: sys.stdout.write(writer.GetOutputString())
|
||||||
|
|
||||||
table.close()
|
|
||||||
|
|
|
||||||
|
|
@ -145,7 +145,6 @@ for name in filenames:
|
||||||
config_header += ['<microstructure>']
|
config_header += ['<microstructure>']
|
||||||
for i in range(np.nanmax(microstructure)):
|
for i in range(np.nanmax(microstructure)):
|
||||||
config_header += ['[{}{}]'.format(label,i+1),
|
config_header += ['[{}{}]'.format(label,i+1),
|
||||||
'crystallite 1',
|
|
||||||
'(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(phase[i],i+1),
|
'(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(phase[i],i+1),
|
||||||
]
|
]
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -126,15 +126,12 @@ for i in range(3,np.max(microstructure)):
|
||||||
|
|
||||||
config_header = ['<microstructure>',
|
config_header = ['<microstructure>',
|
||||||
'[canal]',
|
'[canal]',
|
||||||
'crystallite 1',
|
|
||||||
'(constituent)\tphase 1\ttexture 1\tfraction 1.0',
|
'(constituent)\tphase 1\ttexture 1\tfraction 1.0',
|
||||||
'[interstitial]',
|
'[interstitial]',
|
||||||
'crystallite 1',
|
|
||||||
'(constituent)\tphase 2\ttexture 2\tfraction 1.0'
|
'(constituent)\tphase 2\ttexture 2\tfraction 1.0'
|
||||||
]
|
]
|
||||||
for i in range(3,np.max(microstructure)):
|
for i in range(3,np.max(microstructure)):
|
||||||
config_header += ['[Point{}]'.format(i-2),
|
config_header += ['[Point{}]'.format(i-2),
|
||||||
'crystallite 1',
|
|
||||||
'(constituent)\tphase 3\ttexture {}\tfraction 1.0'.format(i)
|
'(constituent)\tphase 3\ttexture {}\tfraction 1.0'.format(i)
|
||||||
]
|
]
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -78,36 +78,15 @@ for name in filenames:
|
||||||
table = damask.ASCIItable(name = name,readonly=True)
|
table = damask.ASCIItable(name = name,readonly=True)
|
||||||
table.head_read() # read ASCII header info
|
table.head_read() # read ASCII header info
|
||||||
|
|
||||||
# ------------------------------------------ sanity checks ---------------------------------------
|
|
||||||
|
|
||||||
coordDim = table.label_dimension(options.pos)
|
|
||||||
|
|
||||||
errors = []
|
|
||||||
if not 3 >= coordDim >= 2:
|
|
||||||
errors.append('coordinates "{}" need to have two or three dimensions.'.format(options.pos))
|
|
||||||
if not np.all(table.label_dimension(label) == dim):
|
|
||||||
errors.append('input "{}" needs to have dimension {}.'.format(label,dim))
|
|
||||||
if options.phase and table.label_dimension(options.phase) != 1:
|
|
||||||
errors.append('phase column "{}" is not scalar.'.format(options.phase))
|
|
||||||
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
continue
|
|
||||||
|
|
||||||
table.data_readArray([options.pos] \
|
table.data_readArray([options.pos] \
|
||||||
+ (label if isinstance(label, list) else [label]) \
|
+ (label if isinstance(label, list) else [label]) \
|
||||||
+ ([options.phase] if options.phase else []))
|
+ ([options.phase] if options.phase else []))
|
||||||
|
|
||||||
if coordDim == 2:
|
|
||||||
table.data = np.insert(table.data,2,np.zeros(len(table.data)),axis=1) # add zero z coordinate for two-dimensional input
|
|
||||||
if options.phase is None:
|
if options.phase is None:
|
||||||
table.data = np.column_stack((table.data,np.ones(len(table.data)))) # add single phase if no phase column given
|
table.data = np.column_stack((table.data,np.ones(len(table.data)))) # add single phase if no phase column given
|
||||||
|
|
||||||
grid,size = damask.util.coordGridAndSize(table.data[:,0:3])
|
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.data[:,0:3])
|
||||||
coords = [np.unique(table.data[:,i]) for i in range(3)]
|
|
||||||
mincorner = np.array(list(map(min,coords)))
|
|
||||||
origin = mincorner - 0.5*size/grid # shift from cell center to corner
|
|
||||||
|
|
||||||
|
|
||||||
indices = np.lexsort((table.data[:,0],table.data[:,1],table.data[:,2])) # indices of position when sorting x fast, z slow
|
indices = np.lexsort((table.data[:,0],table.data[:,1],table.data[:,2])) # indices of position when sorting x fast, z slow
|
||||||
microstructure = np.empty(grid,dtype = int) # initialize empty microstructure
|
microstructure = np.empty(grid,dtype = int) # initialize empty microstructure
|
||||||
|
|
@ -142,7 +121,6 @@ for name in filenames:
|
||||||
config_header += ['<microstructure>']
|
config_header += ['<microstructure>']
|
||||||
for i,data in enumerate(unique):
|
for i,data in enumerate(unique):
|
||||||
config_header += ['[Grain{}]'.format(i+1),
|
config_header += ['[Grain{}]'.format(i+1),
|
||||||
'crystallite 1',
|
|
||||||
'(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(int(data[4]),i+1),
|
'(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(int(data[4]),i+1),
|
||||||
]
|
]
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -290,7 +290,6 @@ for name in filenames:
|
||||||
config_header += ['<microstructure>']
|
config_header += ['<microstructure>']
|
||||||
for ID in grainIDs:
|
for ID in grainIDs:
|
||||||
config_header += ['[Grain{}]'.format(ID),
|
config_header += ['[Grain{}]'.format(ID),
|
||||||
'crystallite 1',
|
|
||||||
'(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(options.phase,ID)
|
'(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(options.phase,ID)
|
||||||
]
|
]
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -2,10 +2,8 @@
|
||||||
|
|
||||||
import os
|
import os
|
||||||
import sys
|
import sys
|
||||||
from optparse import OptionParser
|
|
||||||
from io import StringIO
|
from io import StringIO
|
||||||
|
from optparse import OptionParser
|
||||||
import numpy as np
|
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
||||||
|
|
@ -24,38 +22,25 @@ Translate geom description into ASCIItable containing position and microstructur
|
||||||
""", version = scriptID)
|
""", version = scriptID)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
damask.util.croak(geom)
|
||||||
|
|
||||||
damask.util.croak(geom)
|
coord0 = damask.grid_filters.cell_coord0(geom.grid,geom.size,geom.origin).reshape((-1,3))
|
||||||
|
|
||||||
# --- generate grid --------------------------------------------------------------------------------
|
comments = geom.comments \
|
||||||
|
+ [scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
|
"grid\ta {}\tb {}\tc {}".format(*geom.grid),
|
||||||
|
"size\tx {}\ty {}\tz {}".format(*geom.size),
|
||||||
|
"origin\tx {}\ty {}\tz {}".format(*geom.origin),
|
||||||
|
"homogenization\t{}".format(geom.homogenization)]
|
||||||
|
|
||||||
grid = geom.get_grid()
|
table = damask.Table(coord0,{'pos':(3,)},comments)
|
||||||
size = geom.get_size()
|
table.add('microstructure',geom.microstructure.reshape((-1,1),order='F'))
|
||||||
origin = geom.get_origin()
|
|
||||||
|
|
||||||
x = (0.5 + np.arange(grid[0],dtype=float))/grid[0]*size[0]+origin[0]
|
table.to_ASCII(sys.stdout if name is None else \
|
||||||
y = (0.5 + np.arange(grid[1],dtype=float))/grid[1]*size[1]+origin[1]
|
os.path.splitext(name)[0]+'.txt')
|
||||||
z = (0.5 + np.arange(grid[2],dtype=float))/grid[2]*size[2]+origin[2]
|
|
||||||
|
|
||||||
xx = np.tile( x, grid[1]* grid[2])
|
|
||||||
yy = np.tile(np.repeat(y,grid[0] ),grid[2])
|
|
||||||
zz = np.repeat(z,grid[0]*grid[1])
|
|
||||||
|
|
||||||
# --- create ASCII table --------------------------------------------------------------------------
|
|
||||||
|
|
||||||
table = damask.ASCIItable(outname = os.path.splitext(name)[0]+'.txt' if name else name)
|
|
||||||
table.info_append(geom.get_comments() + [scriptID + '\t' + ' '.join(sys.argv[1:])])
|
|
||||||
table.labels_append(['{}_{}'.format(1+i,'pos') for i in range(3)]+['microstructure'])
|
|
||||||
table.head_write()
|
|
||||||
table.output_flush()
|
|
||||||
table.data = np.squeeze(np.dstack((xx,yy,zz,geom.microstructure.flatten('F'))),axis=0)
|
|
||||||
table.data_writeArray()
|
|
||||||
table.close()
|
|
||||||
|
|
|
||||||
|
|
@ -19,7 +19,7 @@ def integerFactorization(i):
|
||||||
return j
|
return j
|
||||||
|
|
||||||
def binAsBins(bin,intervals):
|
def binAsBins(bin,intervals):
|
||||||
"""Explode compound bin into 3D bins list"""
|
"""Explode compound bin into 3D bins list."""
|
||||||
bins = [0]*3
|
bins = [0]*3
|
||||||
bins[0] = (bin//(intervals[1] * intervals[2])) % intervals[0]
|
bins[0] = (bin//(intervals[1] * intervals[2])) % intervals[0]
|
||||||
bins[1] = (bin//intervals[2]) % intervals[1]
|
bins[1] = (bin//intervals[2]) % intervals[1]
|
||||||
|
|
@ -27,17 +27,17 @@ def binAsBins(bin,intervals):
|
||||||
return bins
|
return bins
|
||||||
|
|
||||||
def binsAsBin(bins,intervals):
|
def binsAsBin(bins,intervals):
|
||||||
"""Implode 3D bins into compound bin"""
|
"""Implode 3D bins into compound bin."""
|
||||||
return (bins[0]*intervals[1] + bins[1])*intervals[2] + bins[2]
|
return (bins[0]*intervals[1] + bins[1])*intervals[2] + bins[2]
|
||||||
|
|
||||||
def EulersAsBins(Eulers,intervals,deltas,center):
|
def EulersAsBins(Eulers,intervals,deltas,center):
|
||||||
"""Return list of Eulers translated into 3D bins list"""
|
"""Return list of Eulers translated into 3D bins list."""
|
||||||
return [int((euler+(0.5-center)*delta)//delta)%interval \
|
return [int((euler+(0.5-center)*delta)//delta)%interval \
|
||||||
for euler,delta,interval in zip(Eulers,deltas,intervals) \
|
for euler,delta,interval in zip(Eulers,deltas,intervals) \
|
||||||
]
|
]
|
||||||
|
|
||||||
def binAsEulers(bin,intervals,deltas,center):
|
def binAsEulers(bin,intervals,deltas,center):
|
||||||
"""Compound bin number translated into list of Eulers"""
|
"""Compound bin number translated into list of Eulers."""
|
||||||
Eulers = [0.0]*3
|
Eulers = [0.0]*3
|
||||||
Eulers[2] = (bin%intervals[2] + center)*deltas[2]
|
Eulers[2] = (bin%intervals[2] + center)*deltas[2]
|
||||||
Eulers[1] = (bin//intervals[2]%intervals[1] + center)*deltas[1]
|
Eulers[1] = (bin//intervals[2]%intervals[1] + center)*deltas[1]
|
||||||
|
|
@ -45,7 +45,7 @@ def binAsEulers(bin,intervals,deltas,center):
|
||||||
return Eulers
|
return Eulers
|
||||||
|
|
||||||
def directInvRepetitions(probability,scale):
|
def directInvRepetitions(probability,scale):
|
||||||
"""Calculate number of samples drawn by direct inversion"""
|
"""Calculate number of samples drawn by direct inversion."""
|
||||||
nDirectInv = 0
|
nDirectInv = 0
|
||||||
for bin in range(len(probability)): # loop over bins
|
for bin in range(len(probability)): # loop over bins
|
||||||
nDirectInv += int(round(probability[bin]*scale)) # calc repetition
|
nDirectInv += int(round(probability[bin]*scale)) # calc repetition
|
||||||
|
|
@ -56,7 +56,7 @@ def directInvRepetitions(probability,scale):
|
||||||
|
|
||||||
# ----- efficient algorithm ---------
|
# ----- efficient algorithm ---------
|
||||||
def directInversion (ODF,nSamples):
|
def directInversion (ODF,nSamples):
|
||||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)"""
|
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)."""
|
||||||
nOptSamples = max(ODF['nNonZero'],nSamples) # random subsampling if too little samples requested
|
nOptSamples = max(ODF['nNonZero'],nSamples) # random subsampling if too little samples requested
|
||||||
|
|
||||||
nInvSamples = 0
|
nInvSamples = 0
|
||||||
|
|
@ -118,7 +118,7 @@ def directInversion (ODF,nSamples):
|
||||||
# ----- trial and error algorithms ---------
|
# ----- trial and error algorithms ---------
|
||||||
|
|
||||||
def MonteCarloEulers (ODF,nSamples):
|
def MonteCarloEulers (ODF,nSamples):
|
||||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)"""
|
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)."""
|
||||||
countMC = 0
|
countMC = 0
|
||||||
maxdV_V = max(ODF['dV_V'])
|
maxdV_V = max(ODF['dV_V'])
|
||||||
orientations = np.zeros((nSamples,3),'f')
|
orientations = np.zeros((nSamples,3),'f')
|
||||||
|
|
@ -141,7 +141,7 @@ def MonteCarloEulers (ODF,nSamples):
|
||||||
|
|
||||||
|
|
||||||
def MonteCarloBins (ODF,nSamples):
|
def MonteCarloBins (ODF,nSamples):
|
||||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)"""
|
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)."""
|
||||||
countMC = 0
|
countMC = 0
|
||||||
maxdV_V = max(ODF['dV_V'])
|
maxdV_V = max(ODF['dV_V'])
|
||||||
orientations = np.zeros((nSamples,3),'f')
|
orientations = np.zeros((nSamples,3),'f')
|
||||||
|
|
@ -163,7 +163,7 @@ def MonteCarloBins (ODF,nSamples):
|
||||||
|
|
||||||
|
|
||||||
def TothVanHoutteSTAT (ODF,nSamples):
|
def TothVanHoutteSTAT (ODF,nSamples):
|
||||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)"""
|
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)."""
|
||||||
orientations = np.zeros((nSamples,3),'f')
|
orientations = np.zeros((nSamples,3),'f')
|
||||||
reconstructedODF = np.zeros(ODF['nBins'],'f')
|
reconstructedODF = np.zeros(ODF['nBins'],'f')
|
||||||
unitInc = 1.0/nSamples
|
unitInc = 1.0/nSamples
|
||||||
|
|
@ -211,10 +211,6 @@ parser.add_option('-p','--phase',
|
||||||
dest = 'phase',
|
dest = 'phase',
|
||||||
type = 'int', metavar = 'int',
|
type = 'int', metavar = 'int',
|
||||||
help = 'phase index to be used [%default]')
|
help = 'phase index to be used [%default]')
|
||||||
parser.add_option('--crystallite',
|
|
||||||
dest = 'crystallite',
|
|
||||||
type = 'int', metavar = 'int',
|
|
||||||
help = 'crystallite index to be used [%default]')
|
|
||||||
parser.add_option('-r', '--rnd',
|
parser.add_option('-r', '--rnd',
|
||||||
dest = 'randomSeed',
|
dest = 'randomSeed',
|
||||||
type = 'int', metavar = 'int', \
|
type = 'int', metavar = 'int', \
|
||||||
|
|
@ -223,7 +219,6 @@ parser.set_defaults(randomSeed = None,
|
||||||
number = 500,
|
number = 500,
|
||||||
algorithm = 'IA',
|
algorithm = 'IA',
|
||||||
phase = 1,
|
phase = 1,
|
||||||
crystallite = 1,
|
|
||||||
ang = True,
|
ang = True,
|
||||||
)
|
)
|
||||||
|
|
||||||
|
|
@ -240,7 +235,7 @@ if filenames == []: filenames = [None]
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
try:
|
||||||
table = damask.ASCIItable(name = name, buffered = False, readonly=True)
|
table = damask.ASCIItable(name = name, buffered = False, readonly=True)
|
||||||
except:
|
except IOError:
|
||||||
continue
|
continue
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
|
|
@ -351,7 +346,6 @@ for name in filenames:
|
||||||
|
|
||||||
for i,ID in enumerate(range(nSamples)):
|
for i,ID in enumerate(range(nSamples)):
|
||||||
materialConfig += ['[Grain%s]'%(str(ID+1).zfill(formatwidth)),
|
materialConfig += ['[Grain%s]'%(str(ID+1).zfill(formatwidth)),
|
||||||
'crystallite %i'%options.crystallite,
|
|
||||||
'(constituent) phase %i texture %s fraction 1.0'%(options.phase,str(ID+1).rjust(formatwidth)),
|
'(constituent) phase %i texture %s fraction 1.0'%(options.phase,str(ID+1).rjust(formatwidth)),
|
||||||
]
|
]
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -1,9 +1,10 @@
|
||||||
#!/usr/bin/env python3
|
#!/usr/bin/env python3
|
||||||
# -*- coding: UTF-8 no BOM -*-
|
|
||||||
|
|
||||||
import os,sys
|
import os
|
||||||
import numpy as np
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
|
|
@ -191,78 +192,45 @@ parser.add_option('-p', '--port',
|
||||||
dest = 'port',
|
dest = 'port',
|
||||||
type = 'int', metavar = 'int',
|
type = 'int', metavar = 'int',
|
||||||
help = 'Mentat connection port [%default]')
|
help = 'Mentat connection port [%default]')
|
||||||
parser.add_option('--homogenization',
|
|
||||||
dest = 'homogenization',
|
|
||||||
type = 'int', metavar = 'int',
|
|
||||||
help = 'homogenization index to be used [auto]')
|
|
||||||
|
|
||||||
parser.set_defaults(port = None,
|
parser.set_defaults(port = None,
|
||||||
homogenization = None,
|
)
|
||||||
)
|
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.port:
|
if options.port is not None:
|
||||||
try:
|
try:
|
||||||
import py_mentat
|
import py_mentat
|
||||||
except:
|
except ImportError:
|
||||||
parser.error('no valid Mentat release found.')
|
parser.error('no valid Mentat release found.')
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
# --- loop over input files ------------------------------------------------------------------------
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
damask.util.report(scriptName,name)
|
||||||
table = damask.ASCIItable(name = name,
|
|
||||||
outname = os.path.splitext(name)[0]+'.proc' if name else name,
|
|
||||||
buffered = False, labeled = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
microstructure = geom.get_microstructure().flatten(order='F')
|
||||||
|
|
||||||
table.head_read()
|
cmds = [\
|
||||||
info,extra_header = table.head_getGeom()
|
init(),
|
||||||
if options.homogenization: info['homogenization'] = options.homogenization
|
mesh(geom.grid,geom.size),
|
||||||
|
material(),
|
||||||
|
geometry(),
|
||||||
|
initial_conditions(geom.homogenization,microstructure),
|
||||||
|
'*identify_sets',
|
||||||
|
'*show_model',
|
||||||
|
'*redraw',
|
||||||
|
'*draw_automatic',
|
||||||
|
]
|
||||||
|
|
||||||
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
|
outputLocals = {}
|
||||||
'size x y z: %s'%(' x '.join(map(str,info['size']))),
|
if options.port:
|
||||||
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
py_mentat.py_connect('',options.port)
|
||||||
'homogenization: %i'%info['homogenization'],
|
output(cmds,outputLocals,'Mentat')
|
||||||
'microstructures: %i'%info['microstructures'],
|
py_mentat.py_disconnect()
|
||||||
])
|
else:
|
||||||
|
with sys.stdout if name is None else open(os.path.splitext(name)[0]+'.proc','w') as f:
|
||||||
errors = []
|
output(cmds,outputLocals,f)
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
|
||||||
if np.any(info['size'] <= 0.0): errors.append('invalid size x y z.')
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# --- read data ------------------------------------------------------------------------------------
|
|
||||||
|
|
||||||
microstructure = table.microstructure_read(info['grid']).reshape(info['grid'].prod(),order='F') # read microstructure
|
|
||||||
|
|
||||||
cmds = [\
|
|
||||||
init(),
|
|
||||||
mesh(info['grid'],info['size']),
|
|
||||||
material(),
|
|
||||||
geometry(),
|
|
||||||
initial_conditions(info['homogenization'],microstructure),
|
|
||||||
'*identify_sets',
|
|
||||||
'*show_model',
|
|
||||||
'*redraw',
|
|
||||||
'*draw_automatic',
|
|
||||||
]
|
|
||||||
|
|
||||||
outputLocals = {}
|
|
||||||
if options.port:
|
|
||||||
py_mentat.py_connect('',options.port)
|
|
||||||
output(cmds,outputLocals,'Mentat')
|
|
||||||
py_mentat.py_disconnect()
|
|
||||||
else:
|
|
||||||
output(cmds,outputLocals,table.__IO__['out']) # bad hack into internals of table class...
|
|
||||||
|
|
||||||
table.close()
|
|
||||||
|
|
|
||||||
|
|
@ -78,13 +78,11 @@ def rcbOrientationParser(content,idcolumn):
|
||||||
damask.util.croak('You might not have chosen the correct column for the grain IDs! '+
|
damask.util.croak('You might not have chosen the correct column for the grain IDs! '+
|
||||||
'Please check the "--id" option.')
|
'Please check the "--id" option.')
|
||||||
raise
|
raise
|
||||||
except:
|
|
||||||
raise
|
|
||||||
|
|
||||||
return grains
|
return grains
|
||||||
|
|
||||||
def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn):
|
def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn):
|
||||||
"""Parser for TSL-OIM reconstructed boundary files"""
|
"""Parser for TSL-OIM reconstructed boundary files."""
|
||||||
# find bounding box
|
# find bounding box
|
||||||
boxX = [1.*sys.maxint,-1.*sys.maxint]
|
boxX = [1.*sys.maxint,-1.*sys.maxint]
|
||||||
boxY = [1.*sys.maxint,-1.*sys.maxint]
|
boxY = [1.*sys.maxint,-1.*sys.maxint]
|
||||||
|
|
@ -99,8 +97,6 @@ def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn):
|
||||||
damask.util.croak('You might not have chosen the correct column for the segment end points! '+
|
damask.util.croak('You might not have chosen the correct column for the segment end points! '+
|
||||||
'Please check the "--segment" option.')
|
'Please check the "--segment" option.')
|
||||||
raise
|
raise
|
||||||
except:
|
|
||||||
raise
|
|
||||||
(x[0],y[0]) = (M[0]*x[0]+M[1]*y[0],M[2]*x[0]+M[3]*y[0]) # apply transformation to coordinates
|
(x[0],y[0]) = (M[0]*x[0]+M[1]*y[0],M[2]*x[0]+M[3]*y[0]) # apply transformation to coordinates
|
||||||
(x[1],y[1]) = (M[0]*x[1]+M[1]*y[1],M[2]*x[1]+M[3]*y[1]) # to get rcb --> Euler system
|
(x[1],y[1]) = (M[0]*x[1]+M[1]*y[1],M[2]*x[1]+M[3]*y[1]) # to get rcb --> Euler system
|
||||||
boxX[0] = min(boxX[0],x[0],x[1])
|
boxX[0] = min(boxX[0],x[0],x[1])
|
||||||
|
|
@ -728,7 +724,7 @@ def image(name,imgsize,marginX,marginY,rcData):
|
||||||
|
|
||||||
# -------------------------
|
# -------------------------
|
||||||
def inside(x,y,points):
|
def inside(x,y,points):
|
||||||
"""Tests whether point(x,y) is within polygon described by points"""
|
"""Tests whether point(x,y) is within polygon described by points."""
|
||||||
inside = False
|
inside = False
|
||||||
npoints=len(points)
|
npoints=len(points)
|
||||||
(x1,y1) = points[npoints-1] # start with last point of points
|
(x1,y1) = points[npoints-1] # start with last point of points
|
||||||
|
|
@ -750,7 +746,7 @@ def inside(x,y,points):
|
||||||
|
|
||||||
# -------------------------
|
# -------------------------
|
||||||
def fftbuild(rcData,height,xframe,yframe,grid,extrusion):
|
def fftbuild(rcData,height,xframe,yframe,grid,extrusion):
|
||||||
"""Build array of grain numbers"""
|
"""Build array of grain numbers."""
|
||||||
maxX = -1.*sys.maxint
|
maxX = -1.*sys.maxint
|
||||||
maxY = -1.*sys.maxint
|
maxY = -1.*sys.maxint
|
||||||
for line in rcData['point']: # find data range
|
for line in rcData['point']: # find data range
|
||||||
|
|
@ -883,7 +879,7 @@ try:
|
||||||
boundaryFile = open(args[0])
|
boundaryFile = open(args[0])
|
||||||
boundarySegments = boundaryFile.readlines()
|
boundarySegments = boundaryFile.readlines()
|
||||||
boundaryFile.close()
|
boundaryFile.close()
|
||||||
except:
|
except IOError:
|
||||||
damask.util.croak('unable to read boundary file "{}".'.format(args[0]))
|
damask.util.croak('unable to read boundary file "{}".'.format(args[0]))
|
||||||
raise
|
raise
|
||||||
|
|
||||||
|
|
@ -941,19 +937,15 @@ if any(output in options.output for output in ['spectral','mentat']):
|
||||||
|
|
||||||
for i,grain in enumerate(rcData['grainMapping']):
|
for i,grain in enumerate(rcData['grainMapping']):
|
||||||
config+=['[grain{}]'.format(grain),
|
config+=['[grain{}]'.format(grain),
|
||||||
'crystallite\t1',
|
|
||||||
'(constituent)\tphase 1\ttexture {}\tfraction 1.0'.format(i+1)]
|
'(constituent)\tphase 1\ttexture {}\tfraction 1.0'.format(i+1)]
|
||||||
if (options.xmargin > 0.0):
|
if (options.xmargin > 0.0):
|
||||||
config+=['[x-margin]',
|
config+=['[x-margin]',
|
||||||
'crystallite\t1',
|
|
||||||
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
||||||
if (options.ymargin > 0.0):
|
if (options.ymargin > 0.0):
|
||||||
config+=['[y-margin]',
|
config+=['[y-margin]',
|
||||||
'crystallite\t1',
|
|
||||||
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
||||||
if (options.xmargin > 0.0 and options.ymargin > 0.0):
|
if (options.xmargin > 0.0 and options.ymargin > 0.0):
|
||||||
config+=['[xy-margin]',
|
config+=['[xy-margin]',
|
||||||
'crystallite\t1',
|
|
||||||
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
||||||
|
|
||||||
if (options.xmargin > 0.0 or options.ymargin > 0.0):
|
if (options.xmargin > 0.0 or options.ymargin > 0.0):
|
||||||
|
|
|
||||||
|
|
@ -6,7 +6,6 @@ do
|
||||||
|
|
||||||
vtk_addPointCloudData $seeds \
|
vtk_addPointCloudData $seeds \
|
||||||
--data microstructure,weight \
|
--data microstructure,weight \
|
||||||
--inplace \
|
|
||||||
--vtk ${seeds%.*}.vtp \
|
--vtk ${seeds%.*}.vtp \
|
||||||
|
|
||||||
done
|
done
|
||||||
|
|
|
||||||
|
|
@ -1,9 +1,12 @@
|
||||||
#!/usr/bin/env python3
|
#!/usr/bin/env python3
|
||||||
# -*- coding: UTF-8 no BOM -*-
|
|
||||||
|
|
||||||
import os,sys
|
import os
|
||||||
import numpy as np
|
import sys
|
||||||
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
|
import numpy as np
|
||||||
|
|
||||||
import damask
|
import damask
|
||||||
|
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
|
|
@ -29,88 +32,39 @@ parser.add_option('-b',
|
||||||
action = 'extend', metavar = '<int LIST>',
|
action = 'extend', metavar = '<int LIST>',
|
||||||
dest = 'blacklist',
|
dest = 'blacklist',
|
||||||
help = 'blacklist of grain IDs')
|
help = 'blacklist of grain IDs')
|
||||||
parser.add_option('-p',
|
|
||||||
'--pos', '--seedposition',
|
|
||||||
dest = 'pos',
|
|
||||||
type = 'string', metavar = 'string',
|
|
||||||
help = 'label of coordinates [%default]')
|
|
||||||
|
|
||||||
parser.set_defaults(whitelist = [],
|
parser.set_defaults(whitelist = [],
|
||||||
blacklist = [],
|
blacklist = [],
|
||||||
pos = 'pos',
|
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
options.whitelist = list(map(int,options.whitelist))
|
|
||||||
options.blacklist = list(map(int,options.blacklist))
|
|
||||||
|
|
||||||
# --- loop over output files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
options.whitelist = [int(i) for i in options.whitelist]
|
||||||
|
options.blacklist = [int(i) for i in options.blacklist]
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
damask.util.report(scriptName,name)
|
||||||
outname = os.path.splitext(name)[0]+'.seeds' if name else name,
|
|
||||||
buffered = False,
|
|
||||||
labeled = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
|
microstructure = geom.get_microstructure().reshape((-1,1),order='F')
|
||||||
|
|
||||||
table.head_read()
|
mask = np.logical_and(np.in1d(microstructure,options.whitelist,invert=False) if options.whitelist else \
|
||||||
info,extra_header = table.head_getGeom()
|
np.full(geom.grid.prod(),True,dtype=bool),
|
||||||
damask.util.report_geom(info)
|
np.in1d(microstructure,options.blacklist,invert=True) if options.blacklist else \
|
||||||
|
np.full(geom.grid.prod(),True,dtype=bool))
|
||||||
|
|
||||||
errors = []
|
seeds = np.concatenate((damask.grid_filters.cell_coord0(geom.grid,geom.size).reshape((-1,3)),
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
microstructure),
|
||||||
if np.any(info['size'] <= 0.0): errors.append('invalid size x y z.')
|
axis=1)[mask]
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# --- read data ------------------------------------------------------------------------------------
|
comments = geom.comments \
|
||||||
|
+ [scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
|
"grid\ta {}\tb {}\tc {}".format(*geom.grid),
|
||||||
|
"size\tx {}\ty {}\tz {}".format(*geom.size),
|
||||||
|
"origin\tx {}\ty {}\tz {}".format(*geom.origin),
|
||||||
|
"homogenization\t{}".format(geom.homogenization)]
|
||||||
|
|
||||||
microstructure = table.microstructure_read(info['grid']) # read (linear) microstructure
|
table = damask.Table(seeds,{'pos':(3,),'microstructure':(1,)},comments)
|
||||||
|
table.to_ASCII(sys.stdout if name is None else \
|
||||||
# --- generate grid --------------------------------------------------------------------------------
|
os.path.splitext(name)[0]+'.seeds')
|
||||||
|
|
||||||
x = (0.5 + np.arange(info['grid'][0],dtype=float))/info['grid'][0]*info['size'][0]+info['origin'][0]
|
|
||||||
y = (0.5 + np.arange(info['grid'][1],dtype=float))/info['grid'][1]*info['size'][1]+info['origin'][1]
|
|
||||||
z = (0.5 + np.arange(info['grid'][2],dtype=float))/info['grid'][2]*info['size'][2]+info['origin'][2]
|
|
||||||
|
|
||||||
xx = np.tile( x, info['grid'][1]* info['grid'][2])
|
|
||||||
yy = np.tile(np.repeat(y,info['grid'][0] ),info['grid'][2])
|
|
||||||
zz = np.repeat(z,info['grid'][0]*info['grid'][1])
|
|
||||||
|
|
||||||
mask = np.logical_and(np.in1d(microstructure,options.whitelist,invert=False) if options.whitelist != []
|
|
||||||
else np.full_like(microstructure,True,dtype=bool),
|
|
||||||
np.in1d(microstructure,options.blacklist,invert=True ) if options.blacklist != []
|
|
||||||
else np.full_like(microstructure,True,dtype=bool))
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
|
||||||
|
|
||||||
table.info_clear()
|
|
||||||
table.info_append(extra_header+[
|
|
||||||
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
|
||||||
"grid\ta {}\tb {}\tc {}".format(*info['grid']),
|
|
||||||
"size\tx {}\ty {}\tz {}".format(*info['size']),
|
|
||||||
"origin\tx {}\ty {}\tz {}".format(*info['origin']),
|
|
||||||
"homogenization\t{}".format(info['homogenization']),
|
|
||||||
"microstructures\t{}".format(info['microstructures']),
|
|
||||||
])
|
|
||||||
table.labels_clear()
|
|
||||||
table.labels_append(['{dim}_{label}'.format(dim = 1+i,label = options.pos) for i in range(3)]+['microstructure'])
|
|
||||||
table.head_write()
|
|
||||||
table.output_flush()
|
|
||||||
|
|
||||||
# --- write seeds information ------------------------------------------------------------
|
|
||||||
|
|
||||||
table.data = np.squeeze(np.dstack((xx,yy,zz,microstructure)))[mask]
|
|
||||||
table.data_writeArray()
|
|
||||||
|
|
||||||
# ------------------------------------------ finalize output ---------------------------------------
|
|
||||||
|
|
||||||
table.close()
|
|
||||||
|
|
|
||||||
|
|
@ -1,11 +1,14 @@
|
||||||
#!/usr/bin/env python3
|
#!/usr/bin/env python3
|
||||||
# -*- coding: UTF-8 no BOM -*-
|
|
||||||
|
|
||||||
import os,math,sys
|
import os
|
||||||
import numpy as np
|
import sys
|
||||||
import damask
|
from io import StringIO
|
||||||
from optparse import OptionParser
|
from optparse import OptionParser
|
||||||
|
|
||||||
|
import numpy as np
|
||||||
|
|
||||||
|
import damask
|
||||||
|
|
||||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
scriptID = ' '.join([scriptName,damask.version])
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
|
|
@ -35,117 +38,58 @@ parser.add_option('-y',
|
||||||
action = 'store_true',
|
action = 'store_true',
|
||||||
dest = 'y',
|
dest = 'y',
|
||||||
help = 'poke 45 deg along y')
|
help = 'poke 45 deg along y')
|
||||||
parser.add_option('-p','--position',
|
|
||||||
dest = 'position',
|
|
||||||
type = 'string', metavar = 'string',
|
|
||||||
help = 'column label for coordinates [%default]')
|
|
||||||
|
|
||||||
parser.set_defaults(x = False,
|
parser.set_defaults(x = False,
|
||||||
y = False,
|
y = False,
|
||||||
box = [0.0,1.0,0.0,1.0,0.0,1.0],
|
box = [0.0,1.0,0.0,1.0,0.0,1.0],
|
||||||
N = 16,
|
N = 16,
|
||||||
position = 'pos',
|
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
options.box = np.array(options.box).reshape(3,2)
|
options.box = np.array(options.box).reshape(3,2)
|
||||||
|
|
||||||
# --- loop over output files -------------------------------------------------------------------------
|
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
damask.util.report(scriptName,name)
|
||||||
table = damask.ASCIItable(name = name,
|
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||||
outname = os.path.splitext(name)[-2]+'_poked_{}.seeds'.format(options.N) if name else name,
|
|
||||||
buffered = False, labeled = False)
|
|
||||||
except: continue
|
|
||||||
damask.util.report(scriptName,name)
|
|
||||||
|
|
||||||
# --- interpret header ----------------------------------------------------------------------------
|
offset =(np.amin(options.box, axis=1)*geom.grid/geom.size).astype(int)
|
||||||
|
box = np.amax(options.box, axis=1) \
|
||||||
|
- np.amin(options.box, axis=1)
|
||||||
|
|
||||||
table.head_read()
|
Nx = int(options.N/np.sqrt(options.N*geom.size[1]*box[1]/geom.size[0]/box[0]))
|
||||||
info,extra_header = table.head_getGeom()
|
Ny = int(options.N/np.sqrt(options.N*geom.size[0]*box[0]/geom.size[1]/box[1]))
|
||||||
|
Nz = int(box[2]*geom.grid[2])
|
||||||
|
|
||||||
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
|
damask.util.croak('poking {} x {} x {} in box {} {} {}...'.format(Nx,Ny,Nz,*box))
|
||||||
'size x y z: %s'%(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: %i'%info['homogenization'],
|
|
||||||
'microstructures: %i'%info['microstructures'],
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
seeds = np.zeros((Nx*Ny*Nz,4),'d')
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
g = np.zeros(3,'i')
|
||||||
if np.any(info['size'] <= 0.0): errors.append('invalid size x y z.')
|
|
||||||
if errors != []:
|
|
||||||
damask.util.croak(errors)
|
|
||||||
table.close(dismiss = True)
|
|
||||||
continue
|
|
||||||
|
|
||||||
# --- read data ------------------------------------------------------------------------------------
|
n = 0
|
||||||
|
for i in range(Nx):
|
||||||
microstructure = table.microstructure_read(info['grid']).reshape(info['grid'],order='F') # read microstructure
|
for j in range(Ny):
|
||||||
|
g[0] = round((i+0.5)*box[0]*geom.grid[0]/Nx-0.5)+offset[0]
|
||||||
# --- do work ------------------------------------------------------------------------------------
|
g[1] = round((j+0.5)*box[1]*geom.grid[1]/Ny-0.5)+offset[1]
|
||||||
|
for k in range(Nz):
|
||||||
newInfo = {
|
g[2] = k + offset[2]
|
||||||
'microstructures': 0,
|
g %= geom.grid
|
||||||
}
|
seeds[n,0:3] = (g+0.5)/geom.grid # normalize coordinates to box
|
||||||
offset = (np.amin(options.box, axis=1)*info['grid']/info['size']).astype(int)
|
seeds[n, 3] = geom.microstructure[g[0],g[1],g[2]]
|
||||||
box = np.amax(options.box, axis=1) - np.amin(options.box, axis=1)
|
if options.x: g[0] += 1
|
||||||
|
if options.y: g[1] += 1
|
||||||
Nx = int(options.N/math.sqrt(options.N*info['size'][1]*box[1]/info['size'][0]/box[0]))
|
n += 1
|
||||||
Ny = int(options.N/math.sqrt(options.N*info['size'][0]*box[0]/info['size'][1]/box[1]))
|
|
||||||
Nz = int(box[2]*info['grid'][2])
|
|
||||||
|
|
||||||
damask.util.croak('poking {} x {} x {} in box {} {} {}...'.format(Nx,Ny,Nz,*box))
|
|
||||||
|
|
||||||
seeds = np.zeros((Nx*Ny*Nz,4),'d')
|
|
||||||
grid = np.zeros(3,'i')
|
|
||||||
|
|
||||||
n = 0
|
|
||||||
for i in range(Nx):
|
|
||||||
for j in range(Ny):
|
|
||||||
grid[0] = round((i+0.5)*box[0]*info['grid'][0]/Nx-0.5)+offset[0]
|
|
||||||
grid[1] = round((j+0.5)*box[1]*info['grid'][1]/Ny-0.5)+offset[1]
|
|
||||||
for k in range(Nz):
|
|
||||||
grid[2] = k + offset[2]
|
|
||||||
grid %= info['grid']
|
|
||||||
seeds[n,0:3] = (0.5+grid)/info['grid'] # normalize coordinates to box
|
|
||||||
seeds[n, 3] = microstructure[grid[0],grid[1],grid[2]]
|
|
||||||
if options.x: grid[0] += 1
|
|
||||||
if options.y: grid[1] += 1
|
|
||||||
n += 1
|
|
||||||
|
|
||||||
newInfo['microstructures'] = len(np.unique(seeds[:,3]))
|
|
||||||
|
|
||||||
# --- report ---------------------------------------------------------------------------------------
|
|
||||||
if (newInfo['microstructures'] != info['microstructures']):
|
|
||||||
damask.util.croak('--> microstructures: %i'%newInfo['microstructures'])
|
|
||||||
|
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
comments = geom.comments \
|
||||||
table.info_clear()
|
+ [scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
table.info_append(extra_header+[
|
"poking\ta {}\tb {}\tc {}".format(Nx,Ny,Nz),
|
||||||
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
"grid\ta {}\tb {}\tc {}".format(*geom.grid),
|
||||||
"poking\ta {}\tb {}\tc {}".format(Nx,Ny,Nz),
|
"size\tx {}\ty {}\tz {}".format(*geom.size),
|
||||||
"grid\ta {}\tb {}\tc {}".format(*info['grid']),
|
"origin\tx {}\ty {}\tz {}".format(*geom.origin),
|
||||||
"size\tx {}\ty {}\tz {}".format(*info['size']),
|
"homogenization\t{}".format(geom.homogenization)]
|
||||||
"origin\tx {}\ty {}\tz {}".format(*info['origin']),
|
|
||||||
"homogenization\t{}".format(info['homogenization']),
|
|
||||||
"microstructures\t{}".format(newInfo['microstructures']),
|
|
||||||
])
|
|
||||||
table.labels_clear()
|
|
||||||
table.labels_append(['{dim}_{label}'.format(dim = 1+i,label = options.position) for i in range(3)]+['microstructure'])
|
|
||||||
table.head_write()
|
|
||||||
table.output_flush()
|
|
||||||
|
|
||||||
# --- write seeds information ------------------------------------------------------------
|
table = damask.Table(seeds,{'pos':(3,),'microstructure':(1,)},comments)
|
||||||
|
table.to_ASCII(sys.stdout if name is None else \
|
||||||
table.data = seeds
|
os.path.splitext(name)[0]+'_poked_{}.seeds'.format(options.N))
|
||||||
table.data_writeArray()
|
|
||||||
|
|
||||||
# --- output finalization --------------------------------------------------------------------------
|
|
||||||
|
|
||||||
table.close() # close ASCII table
|
|
||||||
|
|
|
||||||
|
|
@ -23,4 +23,5 @@ from .util import extendableOption # noqa
|
||||||
|
|
||||||
# functions in modules
|
# functions in modules
|
||||||
from . import mechanics # noqa
|
from . import mechanics # noqa
|
||||||
|
from . import grid_filters # noqa
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -1,5 +1,3 @@
|
||||||
import math
|
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
||||||
class Color():
|
class Color():
|
||||||
|
|
@ -328,11 +326,11 @@ class Color():
|
||||||
if self.model != 'CIELAB': return
|
if self.model != 'CIELAB': return
|
||||||
|
|
||||||
Msh = np.zeros(3,'d')
|
Msh = np.zeros(3,'d')
|
||||||
Msh[0] = math.sqrt(np.dot(self.color,self.color))
|
Msh[0] = np.sqrt(np.dot(self.color,self.color))
|
||||||
if (Msh[0] > 0.001):
|
if (Msh[0] > 0.001):
|
||||||
Msh[1] = math.acos(self.color[0]/Msh[0])
|
Msh[1] = np.arccos(self.color[0]/Msh[0])
|
||||||
if (self.color[1] != 0.0):
|
if (self.color[1] != 0.0):
|
||||||
Msh[2] = math.atan2(self.color[2],self.color[1])
|
Msh[2] = np.arctan2(self.color[2],self.color[1])
|
||||||
|
|
||||||
converted = Color('MSH', Msh)
|
converted = Color('MSH', Msh)
|
||||||
self.model = converted.model
|
self.model = converted.model
|
||||||
|
|
@ -349,9 +347,9 @@ class Color():
|
||||||
if self.model != 'MSH': return
|
if self.model != 'MSH': return
|
||||||
|
|
||||||
Lab = np.zeros(3,'d')
|
Lab = np.zeros(3,'d')
|
||||||
Lab[0] = self.color[0] * math.cos(self.color[1])
|
Lab[0] = self.color[0] * np.cos(self.color[1])
|
||||||
Lab[1] = self.color[0] * math.sin(self.color[1]) * math.cos(self.color[2])
|
Lab[1] = self.color[0] * np.sin(self.color[1]) * np.cos(self.color[2])
|
||||||
Lab[2] = self.color[0] * math.sin(self.color[1]) * math.sin(self.color[2])
|
Lab[2] = self.color[0] * np.sin(self.color[1]) * np.sin(self.color[2])
|
||||||
|
|
||||||
converted = Color('CIELAB', Lab)
|
converted = Color('CIELAB', Lab)
|
||||||
self.model = converted.model
|
self.model = converted.model
|
||||||
|
|
@ -476,14 +474,14 @@ class Colormap():
|
||||||
if Msh_sat[0] >= Msh_unsat[0]:
|
if Msh_sat[0] >= Msh_unsat[0]:
|
||||||
return Msh_sat[2]
|
return Msh_sat[2]
|
||||||
else:
|
else:
|
||||||
hSpin = Msh_sat[1]/math.sin(Msh_sat[1])*math.sqrt(Msh_unsat[0]**2.0-Msh_sat[0]**2)/Msh_sat[0]
|
hSpin = Msh_sat[1]/np.sin(Msh_sat[1])*np.sqrt(Msh_unsat[0]**2.0-Msh_sat[0]**2)/Msh_sat[0]
|
||||||
if Msh_sat[2] < - math.pi/3.0: hSpin *= -1.0
|
if Msh_sat[2] < - np.pi/3.0: hSpin *= -1.0
|
||||||
return Msh_sat[2] + hSpin
|
return Msh_sat[2] + hSpin
|
||||||
|
|
||||||
Msh1 = np.array(lo[:])
|
Msh1 = np.array(lo[:])
|
||||||
Msh2 = np.array(hi[:])
|
Msh2 = np.array(hi[:])
|
||||||
|
|
||||||
if (Msh1[1] > 0.05 and Msh2[1] > 0.05 and rad_diff(Msh1,Msh2) > math.pi/3.0):
|
if (Msh1[1] > 0.05 and Msh2[1] > 0.05 and rad_diff(Msh1,Msh2) > np.pi/3.0):
|
||||||
M_mid = max(Msh1[0],Msh2[0],88.0)
|
M_mid = max(Msh1[0],Msh2[0],88.0)
|
||||||
if frac < 0.5:
|
if frac < 0.5:
|
||||||
Msh2 = np.array([M_mid,0.0,0.0],'d')
|
Msh2 = np.array([M_mid,0.0,0.0],'d')
|
||||||
|
|
|
||||||
|
|
@ -1,7 +1,10 @@
|
||||||
from queue import Queue
|
from queue import Queue
|
||||||
import re
|
import re
|
||||||
import glob
|
import glob
|
||||||
|
import os
|
||||||
|
|
||||||
|
import vtk
|
||||||
|
from vtk.util import numpy_support
|
||||||
import h5py
|
import h5py
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
||||||
|
|
@ -37,7 +40,7 @@ class DADF5():
|
||||||
self.version_major = f.attrs['DADF5-major']
|
self.version_major = f.attrs['DADF5-major']
|
||||||
self.version_minor = f.attrs['DADF5-minor']
|
self.version_minor = f.attrs['DADF5-minor']
|
||||||
|
|
||||||
if self.version_major != 0 or not 2 <= self.version_minor <= 4:
|
if self.version_major != 0 or not 2 <= self.version_minor <= 5:
|
||||||
raise TypeError('Unsupported DADF5 version {} '.format(f.attrs['DADF5-version']))
|
raise TypeError('Unsupported DADF5 version {} '.format(f.attrs['DADF5-version']))
|
||||||
|
|
||||||
self.structured = 'grid' in f['geometry'].attrs.keys()
|
self.structured = 'grid' in f['geometry'].attrs.keys()
|
||||||
|
|
@ -45,6 +48,9 @@ class DADF5():
|
||||||
if self.structured:
|
if self.structured:
|
||||||
self.grid = f['geometry'].attrs['grid']
|
self.grid = f['geometry'].attrs['grid']
|
||||||
self.size = f['geometry'].attrs['size']
|
self.size = f['geometry'].attrs['size']
|
||||||
|
if self.version_major == 0 and self.version_minor >= 5:
|
||||||
|
self.origin = f['geometry'].attrs['origin']
|
||||||
|
|
||||||
|
|
||||||
r=re.compile('inc[0-9]+')
|
r=re.compile('inc[0-9]+')
|
||||||
increments_unsorted = {int(i[3:]):i for i in f.keys() if r.match(i)}
|
increments_unsorted = {int(i[3:]):i for i in f.keys() if r.match(i)}
|
||||||
|
|
@ -333,8 +339,8 @@ class DADF5():
|
||||||
"""Return information on all active datasets in the file."""
|
"""Return information on all active datasets in the file."""
|
||||||
message = ''
|
message = ''
|
||||||
with h5py.File(self.fname,'r') as f:
|
with h5py.File(self.fname,'r') as f:
|
||||||
for s,i in enumerate(self.iter_visible('increments')):
|
for i in self.iter_visible('increments'):
|
||||||
message+='\n{} ({}s)\n'.format(i,self.times[s])
|
message+='\n{} ({}s)\n'.format(i,self.times[self.increments.index(i)])
|
||||||
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
|
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
|
||||||
for oo in self.iter_visible(o):
|
for oo in self.iter_visible(o):
|
||||||
message+=' {}\n'.format(oo)
|
message+=' {}\n'.format(oo)
|
||||||
|
|
@ -360,7 +366,7 @@ class DADF5():
|
||||||
f[k]
|
f[k]
|
||||||
path.append(k)
|
path.append(k)
|
||||||
except KeyError as e:
|
except KeyError as e:
|
||||||
print('unable to locate geometry dataset: {}'.format(str(e)))
|
pass
|
||||||
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
|
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
|
||||||
for oo in self.iter_visible(o):
|
for oo in self.iter_visible(o):
|
||||||
for pp in self.iter_visible(p):
|
for pp in self.iter_visible(p):
|
||||||
|
|
@ -369,7 +375,7 @@ class DADF5():
|
||||||
f[k]
|
f[k]
|
||||||
path.append(k)
|
path.append(k)
|
||||||
except KeyError as e:
|
except KeyError as e:
|
||||||
print('unable to locate {} dataset: {}'.format(o,str(e)))
|
pass
|
||||||
return path
|
return path
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -433,7 +439,7 @@ class DADF5():
|
||||||
np.linspace(delta[1],self.size[1]-delta[1],self.grid[1]),
|
np.linspace(delta[1],self.size[1]-delta[1],self.grid[1]),
|
||||||
np.linspace(delta[0],self.size[0]-delta[0],self.grid[0]),
|
np.linspace(delta[0],self.size[0]-delta[0],self.grid[0]),
|
||||||
)
|
)
|
||||||
return np.concatenate((x[:,:,:,None],y[:,:,:,None],y[:,:,:,None]),axis = 3).reshape([np.product(self.grid),3])
|
return np.concatenate((x[:,:,:,None],y[:,:,:,None],z[:,:,:,None]),axis = 3).reshape([np.product(self.grid),3])
|
||||||
else:
|
else:
|
||||||
with h5py.File(self.fname,'r') as f:
|
with h5py.File(self.fname,'r') as f:
|
||||||
return f['geometry/x_c'][()]
|
return f['geometry/x_c'][()]
|
||||||
|
|
@ -830,7 +836,7 @@ class DADF5():
|
||||||
N_not_calculated = len(todo)
|
N_not_calculated = len(todo)
|
||||||
while N_not_calculated > 0:
|
while N_not_calculated > 0:
|
||||||
result = results.get()
|
result = results.get()
|
||||||
with h5py.File(self.fname,'a') as f: # write to file
|
with h5py.File(self.fname,'a') as f: # write to file
|
||||||
dataset_out = f[result['group']].create_dataset(result['label'],data=result['data'])
|
dataset_out = f[result['group']].create_dataset(result['label'],data=result['data'])
|
||||||
for k in result['meta'].keys():
|
for k in result['meta'].keys():
|
||||||
dataset_out.attrs[k] = result['meta'][k].encode()
|
dataset_out.attrs[k] = result['meta'][k].encode()
|
||||||
|
|
@ -841,3 +847,142 @@ class DADF5():
|
||||||
N_added +=1
|
N_added +=1
|
||||||
|
|
||||||
pool.wait_completion()
|
pool.wait_completion()
|
||||||
|
|
||||||
|
|
||||||
|
def to_vtk(self,labels,mode='Cell'):
|
||||||
|
"""
|
||||||
|
Export to vtk cell/point data.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
labels : str or list of
|
||||||
|
Labels of the datasets to be exported.
|
||||||
|
mode : str, either 'Cell' or 'Point'
|
||||||
|
Export in cell format or point format.
|
||||||
|
Default value is 'Cell'.
|
||||||
|
|
||||||
|
"""
|
||||||
|
if mode=='Cell':
|
||||||
|
|
||||||
|
if self.structured:
|
||||||
|
|
||||||
|
coordArray = [vtk.vtkDoubleArray(),vtk.vtkDoubleArray(),vtk.vtkDoubleArray()]
|
||||||
|
for dim in [0,1,2]:
|
||||||
|
for c in np.linspace(0,self.size[dim],1+self.grid[dim]):
|
||||||
|
coordArray[dim].InsertNextValue(c)
|
||||||
|
|
||||||
|
vtk_geom = vtk.vtkRectilinearGrid()
|
||||||
|
vtk_geom.SetDimensions(*(self.grid+1))
|
||||||
|
vtk_geom.SetXCoordinates(coordArray[0])
|
||||||
|
vtk_geom.SetYCoordinates(coordArray[1])
|
||||||
|
vtk_geom.SetZCoordinates(coordArray[2])
|
||||||
|
|
||||||
|
else:
|
||||||
|
|
||||||
|
nodes = vtk.vtkPoints()
|
||||||
|
with h5py.File(self.fname,'r') as f:
|
||||||
|
nodes.SetData(numpy_support.numpy_to_vtk(f['/geometry/x_n'][()],deep=True))
|
||||||
|
|
||||||
|
vtk_geom = vtk.vtkUnstructuredGrid()
|
||||||
|
vtk_geom.SetPoints(nodes)
|
||||||
|
vtk_geom.Allocate(f['/geometry/T_c'].shape[0])
|
||||||
|
for i in f['/geometry/T_c']:
|
||||||
|
vtk_geom.InsertNextCell(vtk.VTK_HEXAHEDRON,8,i-1) # not for all elements!
|
||||||
|
elif mode == 'Point':
|
||||||
|
Points = vtk.vtkPoints()
|
||||||
|
Vertices = vtk.vtkCellArray()
|
||||||
|
for c in self.cell_coordinates():
|
||||||
|
pointID = Points.InsertNextPoint(c)
|
||||||
|
Vertices.InsertNextCell(1)
|
||||||
|
Vertices.InsertCellPoint(pointID)
|
||||||
|
|
||||||
|
vtk_geom = vtk.vtkPolyData()
|
||||||
|
vtk_geom.SetPoints(Points)
|
||||||
|
vtk_geom.SetVerts(Vertices)
|
||||||
|
vtk_geom.Modified()
|
||||||
|
|
||||||
|
N_digits = int(np.floor(np.log10(int(self.increments[-1][3:]))))+1
|
||||||
|
|
||||||
|
for i,inc in enumerate(self.iter_visible('increments')):
|
||||||
|
vtk_data = []
|
||||||
|
|
||||||
|
materialpoints_backup = self.visible['materialpoints'].copy()
|
||||||
|
self.set_visible('materialpoints',False)
|
||||||
|
for label in (labels if isinstance(labels,list) else [labels]):
|
||||||
|
for p in self.iter_visible('con_physics'):
|
||||||
|
if p != 'generic':
|
||||||
|
for c in self.iter_visible('constituents'):
|
||||||
|
x = self.get_dataset_location(label)
|
||||||
|
if len(x) == 0:
|
||||||
|
continue
|
||||||
|
array = self.read_dataset(x,0)
|
||||||
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),
|
||||||
|
deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) #ToDo: hard coded 1!
|
||||||
|
vtk_geom.GetCellData().AddArray(vtk_data[-1])
|
||||||
|
|
||||||
|
else:
|
||||||
|
x = self.get_dataset_location(label)
|
||||||
|
if len(x) == 0:
|
||||||
|
continue
|
||||||
|
array = self.read_dataset(x,0)
|
||||||
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),
|
||||||
|
deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
|
ph_name = re.compile(r'(?<=(constituent\/))(.*?)(?=(generic))') # identify phase name
|
||||||
|
dset_name = '1_' + re.sub(ph_name,r'',x[0].split('/',1)[1]) # removing phase name
|
||||||
|
vtk_data[-1].SetName(dset_name)
|
||||||
|
vtk_geom.GetCellData().AddArray(vtk_data[-1])
|
||||||
|
|
||||||
|
self.set_visible('materialpoints',materialpoints_backup)
|
||||||
|
|
||||||
|
constituents_backup = self.visible['constituents'].copy()
|
||||||
|
self.set_visible('constituents',False)
|
||||||
|
for label in (labels if isinstance(labels,list) else [labels]):
|
||||||
|
for p in self.iter_visible('mat_physics'):
|
||||||
|
if p != 'generic':
|
||||||
|
for m in self.iter_visible('materialpoints'):
|
||||||
|
x = self.get_dataset_location(label)
|
||||||
|
if len(x) == 0:
|
||||||
|
continue
|
||||||
|
array = self.read_dataset(x,0)
|
||||||
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),
|
||||||
|
deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) #ToDo: why 1_?
|
||||||
|
vtk_geom.GetCellData().AddArray(vtk_data[-1])
|
||||||
|
else:
|
||||||
|
x = self.get_dataset_location(label)
|
||||||
|
if len(x) == 0:
|
||||||
|
continue
|
||||||
|
array = self.read_dataset(x,0)
|
||||||
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),
|
||||||
|
deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
||||||
|
vtk_geom.GetCellData().AddArray(vtk_data[-1])
|
||||||
|
self.set_visible('constituents',constituents_backup)
|
||||||
|
|
||||||
|
if mode=='Cell':
|
||||||
|
writer = vtk.vtkXMLRectilinearGridWriter() if self.structured else \
|
||||||
|
vtk.vtkXMLUnstructuredGridWriter()
|
||||||
|
x = self.get_dataset_location('u_n')
|
||||||
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=self.read_dataset(x,0),
|
||||||
|
deep=True,array_type=vtk.VTK_DOUBLE))
|
||||||
|
vtk_data[-1].SetName('u')
|
||||||
|
vtk_geom.GetPointData().AddArray(vtk_data[-1])
|
||||||
|
elif mode == 'Point':
|
||||||
|
writer = vtk.vtkXMLPolyDataWriter()
|
||||||
|
|
||||||
|
|
||||||
|
file_out = '{}_inc{}.{}'.format(os.path.splitext(os.path.basename(self.fname))[0],
|
||||||
|
inc[3:].zfill(N_digits),
|
||||||
|
writer.GetDefaultFileExtension())
|
||||||
|
|
||||||
|
writer.SetCompressorTypeToZLib()
|
||||||
|
writer.SetDataModeToBinary()
|
||||||
|
writer.SetFileName(file_out)
|
||||||
|
writer.SetInputData(vtk_geom)
|
||||||
|
|
||||||
|
writer.Write()
|
||||||
|
|
|
||||||
|
|
@ -205,6 +205,9 @@ class Geom():
|
||||||
else:
|
else:
|
||||||
self.homogenization = homogenization
|
self.homogenization = homogenization
|
||||||
|
|
||||||
|
@property
|
||||||
|
def grid(self):
|
||||||
|
return self.get_grid()
|
||||||
|
|
||||||
def get_microstructure(self):
|
def get_microstructure(self):
|
||||||
"""Return the microstructure representation."""
|
"""Return the microstructure representation."""
|
||||||
|
|
@ -419,7 +422,7 @@ class Geom():
|
||||||
ext = os.path.splitext(fname)[1]
|
ext = os.path.splitext(fname)[1]
|
||||||
if ext == '':
|
if ext == '':
|
||||||
name = fname + '.' + writer.GetDefaultFileExtension()
|
name = fname + '.' + writer.GetDefaultFileExtension()
|
||||||
elif ext == writer.GetDefaultFileExtension():
|
elif ext[1:] == writer.GetDefaultFileExtension():
|
||||||
name = fname
|
name = fname
|
||||||
else:
|
else:
|
||||||
raise ValueError("unknown extension {}".format(ext))
|
raise ValueError("unknown extension {}".format(ext))
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1,379 @@
|
||||||
|
from scipy import spatial
|
||||||
|
import numpy as np
|
||||||
|
|
||||||
|
def __ks(size,grid,first_order=False):
|
||||||
|
"""
|
||||||
|
Get wave numbers operator.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
|
||||||
|
"""
|
||||||
|
k_sk = np.where(np.arange(grid[0])>grid[0]//2,np.arange(grid[0])-grid[0],np.arange(grid[0]))/size[0]
|
||||||
|
if grid[0]%2 == 0 and first_order: k_sk[grid[0]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011)
|
||||||
|
|
||||||
|
k_sj = np.where(np.arange(grid[1])>grid[1]//2,np.arange(grid[1])-grid[1],np.arange(grid[1]))/size[1]
|
||||||
|
if grid[1]%2 == 0 and first_order: k_sj[grid[1]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011)
|
||||||
|
|
||||||
|
k_si = np.arange(grid[2]//2+1)/size[2]
|
||||||
|
|
||||||
|
kk, kj, ki = np.meshgrid(k_sk,k_sj,k_si,indexing = 'ij')
|
||||||
|
return np.concatenate((ki[:,:,:,None],kj[:,:,:,None],kk[:,:,:,None]),axis = 3)
|
||||||
|
|
||||||
|
|
||||||
|
def curl(size,field):
|
||||||
|
"""
|
||||||
|
Calculate curl of a vector or tensor field in Fourier space.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
|
||||||
|
"""
|
||||||
|
n = np.prod(field.shape[3:])
|
||||||
|
k_s = __ks(size,field.shape[:3],True)
|
||||||
|
|
||||||
|
e = np.zeros((3, 3, 3))
|
||||||
|
e[0, 1, 2] = e[1, 2, 0] = e[2, 0, 1] = +1.0 # Levi-Civita symbol
|
||||||
|
e[0, 2, 1] = e[2, 1, 0] = e[1, 0, 2] = -1.0
|
||||||
|
|
||||||
|
field_fourier = np.fft.rfftn(field,axes=(0,1,2))
|
||||||
|
curl = (np.einsum('slm,ijkl,ijkm ->ijks', e,k_s,field_fourier)*2.0j*np.pi if n == 3 else # vector, 3 -> 3
|
||||||
|
np.einsum('slm,ijkl,ijknm->ijksn',e,k_s,field_fourier)*2.0j*np.pi) # tensor, 3x3 -> 3x3
|
||||||
|
|
||||||
|
return np.fft.irfftn(curl,axes=(0,1,2),s=field.shape[:3])
|
||||||
|
|
||||||
|
|
||||||
|
def divergence(size,field):
|
||||||
|
"""
|
||||||
|
Calculate divergence of a vector or tensor field in Fourier space.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
|
||||||
|
"""
|
||||||
|
n = np.prod(field.shape[3:])
|
||||||
|
k_s = __ks(size,field.shape[:3],True)
|
||||||
|
|
||||||
|
field_fourier = np.fft.rfftn(field,axes=(0,1,2))
|
||||||
|
divergence = (np.einsum('ijkl,ijkl ->ijk', k_s,field_fourier)*2.0j*np.pi if n == 3 else # vector, 3 -> 1
|
||||||
|
np.einsum('ijkm,ijklm->ijkl',k_s,field_fourier)*2.0j*np.pi) # tensor, 3x3 -> 3
|
||||||
|
|
||||||
|
return np.fft.irfftn(divergence,axes=(0,1,2),s=field.shape[:3])
|
||||||
|
|
||||||
|
|
||||||
|
def gradient(size,field):
|
||||||
|
"""
|
||||||
|
Calculate gradient of a vector or scalar field in Fourier space.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
|
||||||
|
"""
|
||||||
|
n = np.prod(field.shape[3:])
|
||||||
|
k_s = __ks(size,field.shape[:3],True)
|
||||||
|
|
||||||
|
field_fourier = np.fft.rfftn(field,axes=(0,1,2))
|
||||||
|
gradient = (np.einsum('ijkl,ijkm->ijkm', field_fourier,k_s)*2.0j*np.pi if n == 1 else # scalar, 1 -> 3
|
||||||
|
np.einsum('ijkl,ijkm->ijklm',field_fourier,k_s)*2.0j*np.pi) # vector, 3 -> 3x3
|
||||||
|
|
||||||
|
return np.fft.irfftn(gradient,axes=(0,1,2),s=field.shape[:3])
|
||||||
|
|
||||||
|
|
||||||
|
def cell_coord0(grid,size,origin=np.zeros(3)):
|
||||||
|
"""
|
||||||
|
Cell center positions (undeformed).
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
grid : numpy.ndarray
|
||||||
|
number of grid points.
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
origin : numpy.ndarray, optional
|
||||||
|
physical origin of the periodic field. Default is [0.0,0.0,0.0].
|
||||||
|
|
||||||
|
"""
|
||||||
|
start = origin + size/grid*.5
|
||||||
|
end = origin - size/grid*.5 + size
|
||||||
|
x, y, z = np.meshgrid(np.linspace(start[2],end[2],grid[2]),
|
||||||
|
np.linspace(start[1],end[1],grid[1]),
|
||||||
|
np.linspace(start[0],end[0],grid[0]),
|
||||||
|
indexing = 'ij')
|
||||||
|
|
||||||
|
return np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3)
|
||||||
|
|
||||||
|
def cell_displacement_fluct(size,F):
|
||||||
|
"""
|
||||||
|
Cell center displacement field from fluctuation part of the deformation gradient field.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
F : numpy.ndarray
|
||||||
|
deformation gradient field.
|
||||||
|
|
||||||
|
"""
|
||||||
|
integrator = 0.5j*size/np.pi
|
||||||
|
|
||||||
|
k_s = __ks(size,F.shape[:3],False)
|
||||||
|
k_s_squared = np.einsum('...l,...l',k_s,k_s)
|
||||||
|
k_s_squared[0,0,0] = 1.0
|
||||||
|
|
||||||
|
displacement = -np.einsum('ijkml,ijkl,l->ijkm',
|
||||||
|
np.fft.rfftn(F,axes=(0,1,2)),
|
||||||
|
k_s,
|
||||||
|
integrator,
|
||||||
|
) / k_s_squared[...,np.newaxis]
|
||||||
|
|
||||||
|
return np.fft.irfftn(displacement,axes=(0,1,2),s=F.shape[:3])
|
||||||
|
|
||||||
|
def cell_displacement_avg(size,F):
|
||||||
|
"""
|
||||||
|
Cell center displacement field from average part of the deformation gradient field.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
F : numpy.ndarray
|
||||||
|
deformation gradient field.
|
||||||
|
|
||||||
|
"""
|
||||||
|
F_avg = np.average(F,axis=(0,1,2))
|
||||||
|
return np.einsum('ml,ijkl->ijkm',F_avg-np.eye(3),cell_coord0(F.shape[:3][::-1],size))
|
||||||
|
|
||||||
|
def cell_displacement(size,F):
|
||||||
|
"""
|
||||||
|
Cell center displacement field from deformation gradient field.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
F : numpy.ndarray
|
||||||
|
deformation gradient field.
|
||||||
|
|
||||||
|
"""
|
||||||
|
return cell_displacement_avg(size,F) + cell_displacement_fluct(size,F)
|
||||||
|
|
||||||
|
def cell_coord(size,F,origin=np.zeros(3)):
|
||||||
|
"""
|
||||||
|
Cell center positions.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
F : numpy.ndarray
|
||||||
|
deformation gradient field.
|
||||||
|
origin : numpy.ndarray, optional
|
||||||
|
physical origin of the periodic field. Default is [0.0,0.0,0.0].
|
||||||
|
|
||||||
|
"""
|
||||||
|
return cell_coord0(F.shape[:3][::-1],size,origin) + cell_displacement(size,F)
|
||||||
|
|
||||||
|
def cell_coord0_gridSizeOrigin(coord0,ordered=True):
|
||||||
|
"""
|
||||||
|
Return grid 'DNA', i.e. grid, size, and origin from array of cell positions.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
coord0 : numpy.ndarray
|
||||||
|
array of undeformed cell coordinates.
|
||||||
|
ordered : bool, optional
|
||||||
|
expect coord0 data to be ordered (x fast, z slow).
|
||||||
|
|
||||||
|
"""
|
||||||
|
coords = [np.unique(coord0[:,i]) for i in range(3)]
|
||||||
|
mincorner = np.array(list(map(min,coords)))
|
||||||
|
maxcorner = np.array(list(map(max,coords)))
|
||||||
|
grid = np.array(list(map(len,coords)),'i')
|
||||||
|
size = grid/np.maximum(grid-1,1) * (maxcorner-mincorner)
|
||||||
|
delta = size/grid
|
||||||
|
origin = mincorner - delta*.5
|
||||||
|
|
||||||
|
# 1D/2D: size/origin combination undefined, set origin to 0.0
|
||||||
|
size [np.where(grid==1)] = origin[np.where(grid==1)]*2.
|
||||||
|
origin[np.where(grid==1)] = 0.0
|
||||||
|
|
||||||
|
if grid.prod() != len(coord0):
|
||||||
|
raise ValueError('Data count {} does not match grid {}.'.format(len(coord0),grid))
|
||||||
|
|
||||||
|
start = origin + delta*.5
|
||||||
|
end = origin - delta*.5 + size
|
||||||
|
|
||||||
|
if not np.allclose(coords[0],np.linspace(start[0],end[0],grid[0])) and \
|
||||||
|
np.allclose(coords[1],np.linspace(start[1],end[1],grid[1])) and \
|
||||||
|
np.allclose(coords[2],np.linspace(start[2],end[2],grid[2])):
|
||||||
|
raise ValueError('Regular grid spacing violated.')
|
||||||
|
|
||||||
|
if ordered and not np.allclose(coord0.reshape(tuple(grid[::-1])+(3,)),cell_coord0(grid,size,origin)):
|
||||||
|
raise ValueError('Input data is not a regular grid.')
|
||||||
|
|
||||||
|
return (grid,size,origin)
|
||||||
|
|
||||||
|
def coord0_check(coord0):
|
||||||
|
"""
|
||||||
|
Check whether coordinates lie on a regular grid.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
coord0 : numpy.ndarray
|
||||||
|
array of undeformed cell coordinates.
|
||||||
|
|
||||||
|
"""
|
||||||
|
cell_coord0_gridSizeOrigin(coord0,ordered=True)
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
def node_coord0(grid,size,origin=np.zeros(3)):
|
||||||
|
"""
|
||||||
|
Nodal positions (undeformed).
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
grid : numpy.ndarray
|
||||||
|
number of grid points.
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
origin : numpy.ndarray, optional
|
||||||
|
physical origin of the periodic field. Default is [0.0,0.0,0.0].
|
||||||
|
|
||||||
|
"""
|
||||||
|
x, y, z = np.meshgrid(np.linspace(origin[2],size[2]+origin[2],1+grid[2]),
|
||||||
|
np.linspace(origin[1],size[1]+origin[1],1+grid[1]),
|
||||||
|
np.linspace(origin[0],size[0]+origin[0],1+grid[0]),
|
||||||
|
indexing = 'ij')
|
||||||
|
|
||||||
|
return np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3)
|
||||||
|
|
||||||
|
def node_displacement_fluct(size,F):
|
||||||
|
"""
|
||||||
|
Nodal displacement field from fluctuation part of the deformation gradient field.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
F : numpy.ndarray
|
||||||
|
deformation gradient field.
|
||||||
|
|
||||||
|
"""
|
||||||
|
return cell_2_node(cell_displacement_fluct(size,F))
|
||||||
|
|
||||||
|
def node_displacement_avg(size,F):
|
||||||
|
"""
|
||||||
|
Nodal displacement field from average part of the deformation gradient field.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
F : numpy.ndarray
|
||||||
|
deformation gradient field.
|
||||||
|
|
||||||
|
"""
|
||||||
|
F_avg = np.average(F,axis=(0,1,2))
|
||||||
|
return np.einsum('ml,ijkl->ijkm',F_avg-np.eye(3),node_coord0(F.shape[:3][::-1],size))
|
||||||
|
|
||||||
|
def node_displacement(size,F):
|
||||||
|
"""
|
||||||
|
Nodal displacement field from deformation gradient field.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
F : numpy.ndarray
|
||||||
|
deformation gradient field.
|
||||||
|
|
||||||
|
"""
|
||||||
|
return node_displacement_avg(size,F) + node_displacement_fluct(size,F)
|
||||||
|
|
||||||
|
def node_coord(size,F,origin=np.zeros(3)):
|
||||||
|
"""
|
||||||
|
Nodal positions.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
size : numpy.ndarray
|
||||||
|
physical size of the periodic field.
|
||||||
|
F : numpy.ndarray
|
||||||
|
deformation gradient field.
|
||||||
|
origin : numpy.ndarray, optional
|
||||||
|
physical origin of the periodic field. Default is [0.0,0.0,0.0].
|
||||||
|
|
||||||
|
"""
|
||||||
|
return node_coord0(F.shape[:3][::-1],size,origin) + node_displacement(size,F)
|
||||||
|
|
||||||
|
def cell_2_node(cell_data):
|
||||||
|
"""Interpolate periodic cell data to nodal data."""
|
||||||
|
n = ( cell_data + np.roll(cell_data,1,(0,1,2))
|
||||||
|
+ np.roll(cell_data,1,(0,)) + np.roll(cell_data,1,(1,)) + np.roll(cell_data,1,(2,))
|
||||||
|
+ np.roll(cell_data,1,(0,1)) + np.roll(cell_data,1,(1,2)) + np.roll(cell_data,1,(2,0)))*0.125
|
||||||
|
|
||||||
|
return np.pad(n,((0,1),(0,1),(0,1))+((0,0),)*len(cell_data.shape[3:]),mode='wrap')
|
||||||
|
|
||||||
|
def node_2_cell(node_data):
|
||||||
|
"""Interpolate periodic nodal data to cell data."""
|
||||||
|
c = ( node_data + np.roll(node_data,1,(0,1,2))
|
||||||
|
+ np.roll(node_data,1,(0,)) + np.roll(node_data,1,(1,)) + np.roll(node_data,1,(2,))
|
||||||
|
+ np.roll(node_data,1,(0,1)) + np.roll(node_data,1,(1,2)) + np.roll(node_data,1,(2,0)))*0.125
|
||||||
|
|
||||||
|
return c[:-1,:-1,:-1]
|
||||||
|
|
||||||
|
def node_coord0_gridSizeOrigin(coord0,ordered=False):
|
||||||
|
"""
|
||||||
|
Return grid 'DNA', i.e. grid, size, and origin from array of nodal positions.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
coord0 : numpy.ndarray
|
||||||
|
array of undeformed nodal coordinates
|
||||||
|
ordered : bool, optional
|
||||||
|
expect coord0 data to be ordered (x fast, z slow).
|
||||||
|
|
||||||
|
"""
|
||||||
|
coords = [np.unique(coord0[:,i]) for i in range(3)]
|
||||||
|
mincorner = np.array(list(map(min,coords)))
|
||||||
|
maxcorner = np.array(list(map(max,coords)))
|
||||||
|
grid = np.array(list(map(len,coords)),'i') - 1
|
||||||
|
size = maxcorner-mincorner
|
||||||
|
origin = mincorner
|
||||||
|
|
||||||
|
if (grid+1).prod() != len(coord0):
|
||||||
|
raise ValueError('Data count {} does not match grid {}.'.format(len(coord0),grid))
|
||||||
|
|
||||||
|
if not np.allclose(coords[0],np.linspace(mincorner[0],maxcorner[0],grid[0]+1)) and \
|
||||||
|
np.allclose(coords[1],np.linspace(mincorner[1],maxcorner[1],grid[1]+1)) and \
|
||||||
|
np.allclose(coords[2],np.linspace(mincorner[2],maxcorner[2],grid[2]+1)):
|
||||||
|
raise ValueError('Regular grid spacing violated.')
|
||||||
|
|
||||||
|
if ordered and not np.allclose(coord0.reshape(tuple((grid+1)[::-1])+(3,)),node_coord0(grid,size,origin)):
|
||||||
|
raise ValueError('Input data is not a regular grid.')
|
||||||
|
|
||||||
|
return (grid,size,origin)
|
||||||
|
|
||||||
|
|
||||||
|
def regrid(size,F,new_grid):
|
||||||
|
"""tbd."""
|
||||||
|
c = cell_coord0(F.shape[:3][::-1],size) \
|
||||||
|
+ cell_displacement_avg(size,F) \
|
||||||
|
+ cell_displacement_fluct(size,F)
|
||||||
|
|
||||||
|
outer = np.dot(np.average(F,axis=(0,1,2)),size)
|
||||||
|
for d in range(3):
|
||||||
|
c[np.where(c[:,:,:,d]<0)] += outer[d]
|
||||||
|
c[np.where(c[:,:,:,d]>outer[d])] -= outer[d]
|
||||||
|
|
||||||
|
tree = spatial.cKDTree(c.reshape((-1,3)),boxsize=outer)
|
||||||
|
return tree.query(cell_coord0(new_grid,outer))[1]
|
||||||
|
|
@ -58,10 +58,10 @@ def strain_tensor(F,t,m):
|
||||||
|
|
||||||
"""
|
"""
|
||||||
F_ = F.reshape((1,3,3)) if F.shape == (3,3) else F
|
F_ = F.reshape((1,3,3)) if F.shape == (3,3) else F
|
||||||
if t == 'U':
|
if t == 'V':
|
||||||
B = np.matmul(F_,transpose(F_))
|
B = np.matmul(F_,transpose(F_))
|
||||||
w,n = np.linalg.eigh(B)
|
w,n = np.linalg.eigh(B)
|
||||||
elif t == 'V':
|
elif t == 'U':
|
||||||
C = np.matmul(transpose(F_),F_)
|
C = np.matmul(transpose(F_),F_)
|
||||||
w,n = np.linalg.eigh(C)
|
w,n = np.linalg.eigh(C)
|
||||||
|
|
||||||
|
|
@ -92,21 +92,27 @@ def deviatoric_part(x):
|
||||||
x - np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),[x.shape[0],3,3]),spherical_part(x))
|
x - np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),[x.shape[0],3,3]),spherical_part(x))
|
||||||
|
|
||||||
|
|
||||||
def spherical_part(x):
|
def spherical_part(x,tensor=False):
|
||||||
"""
|
"""
|
||||||
Return spherical (hydrostatic) part of a tensor.
|
Return spherical (hydrostatic) part of a tensor.
|
||||||
|
|
||||||
A single scalar is returned, i.e. the hydrostatic part is not mapped on the 3rd order identity
|
|
||||||
matrix.
|
|
||||||
|
|
||||||
Parameters
|
Parameters
|
||||||
----------
|
----------
|
||||||
x : numpy.array of shape (:,3,3) or (3,3)
|
x : numpy.array of shape (:,3,3) or (3,3)
|
||||||
Tensor of which the hydrostatic part is computed.
|
Tensor of which the hydrostatic part is computed.
|
||||||
|
tensor : bool, optional
|
||||||
|
Map spherical part onto identity tensor. Default is false
|
||||||
|
|
||||||
"""
|
"""
|
||||||
return np.trace(x)/3.0 if np.shape(x) == (3,3) else \
|
if x.shape == (3,3):
|
||||||
np.trace(x,axis1=1,axis2=2)/3.0
|
sph = np.trace(x)/3.0
|
||||||
|
return sph if not tensor else np.eye(3)*sph
|
||||||
|
else:
|
||||||
|
sph = np.trace(x,axis1=1,axis2=2)/3.0
|
||||||
|
if not tensor:
|
||||||
|
return sph
|
||||||
|
else:
|
||||||
|
return np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),(x.shape[0],3,3)),sph)
|
||||||
|
|
||||||
|
|
||||||
def Mises_stress(sigma):
|
def Mises_stress(sigma):
|
||||||
|
|
|
||||||
|
|
@ -170,9 +170,18 @@ class Rotation:
|
||||||
################################################################################################
|
################################################################################################
|
||||||
# convert to different orientation representations (numpy arrays)
|
# convert to different orientation representations (numpy arrays)
|
||||||
|
|
||||||
def asQuaternion(self):
|
def asQuaternion(self,
|
||||||
"""Unit quaternion: (q, p_1, p_2, p_3)."""
|
quaternion = False):
|
||||||
return self.quaternion.asArray()
|
"""
|
||||||
|
Unit quaternion [q, p_1, p_2, p_3] unless quaternion == True: damask.quaternion object.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
quaternion : bool, optional
|
||||||
|
return quaternion as DAMASK object.
|
||||||
|
|
||||||
|
"""
|
||||||
|
return self.quaternion if quaternion else self.quaternion.asArray()
|
||||||
|
|
||||||
def asEulers(self,
|
def asEulers(self,
|
||||||
degrees = False):
|
degrees = False):
|
||||||
|
|
@ -190,33 +199,36 @@ class Rotation:
|
||||||
return eu
|
return eu
|
||||||
|
|
||||||
def asAxisAngle(self,
|
def asAxisAngle(self,
|
||||||
degrees = False):
|
degrees = False,
|
||||||
|
pair = False):
|
||||||
"""
|
"""
|
||||||
Axis angle pair: ([n_1, n_2, n_3], ω).
|
Axis angle representation [n_1, n_2, n_3, ω] unless pair == True: ([n_1, n_2, n_3], ω).
|
||||||
|
|
||||||
Parameters
|
Parameters
|
||||||
----------
|
----------
|
||||||
degrees : bool, optional
|
degrees : bool, optional
|
||||||
return rotation angle in degrees.
|
return rotation angle in degrees.
|
||||||
|
pair : bool, optional
|
||||||
|
return tuple of axis and angle.
|
||||||
|
|
||||||
"""
|
"""
|
||||||
ax = qu2ax(self.quaternion.asArray())
|
ax = qu2ax(self.quaternion.asArray())
|
||||||
if degrees: ax[3] = np.degrees(ax[3])
|
if degrees: ax[3] = np.degrees(ax[3])
|
||||||
return ax
|
return (ax[:3],np.degrees(ax[3])) if pair else ax
|
||||||
|
|
||||||
def asMatrix(self):
|
def asMatrix(self):
|
||||||
"""Rotation matrix."""
|
"""Rotation matrix."""
|
||||||
return qu2om(self.quaternion.asArray())
|
return qu2om(self.quaternion.asArray())
|
||||||
|
|
||||||
def asRodrigues(self,
|
def asRodrigues(self,
|
||||||
vector=False):
|
vector = False):
|
||||||
"""
|
"""
|
||||||
Rodrigues-Frank vector: ([n_1, n_2, n_3], tan(ω/2)).
|
Rodrigues-Frank vector representation [n_1, n_2, n_3, tan(ω/2)] unless vector == True: [n_1, n_2, n_3] * tan(ω/2).
|
||||||
|
|
||||||
Parameters
|
Parameters
|
||||||
----------
|
----------
|
||||||
vector : bool, optional
|
vector : bool, optional
|
||||||
return as array of length 3, i.e. scale the unit vector giving the rotation axis.
|
return as actual Rodrigues--Frank vector, i.e. rotation axis scaled by tan(ω/2).
|
||||||
|
|
||||||
"""
|
"""
|
||||||
ro = qu2ro(self.quaternion.asArray())
|
ro = qu2ro(self.quaternion.asArray())
|
||||||
|
|
@ -251,8 +263,8 @@ class Rotation:
|
||||||
acceptHomomorph = False,
|
acceptHomomorph = False,
|
||||||
P = -1):
|
P = -1):
|
||||||
|
|
||||||
qu = quaternion if isinstance(quaternion, np.ndarray) and quaternion.dtype == np.dtype(float) \
|
qu = quaternion if isinstance(quaternion, np.ndarray) and quaternion.dtype == np.dtype(float) \
|
||||||
else np.array(quaternion,dtype=float)
|
else np.array(quaternion,dtype=float)
|
||||||
if P > 0: qu[1:4] *= -1 # convert from P=1 to P=-1
|
if P > 0: qu[1:4] *= -1 # convert from P=1 to P=-1
|
||||||
if qu[0] < 0.0:
|
if qu[0] < 0.0:
|
||||||
if acceptHomomorph:
|
if acceptHomomorph:
|
||||||
|
|
@ -692,14 +704,14 @@ class Symmetry:
|
||||||
|
|
||||||
v = np.array(vector,dtype=float)
|
v = np.array(vector,dtype=float)
|
||||||
if proper: # check both improper ...
|
if proper: # check both improper ...
|
||||||
theComponents = np.dot(basis['improper'],v)
|
theComponents = np.around(np.dot(basis['improper'],v),12)
|
||||||
inSST = np.all(theComponents >= 0.0)
|
inSST = np.all(theComponents >= 0.0)
|
||||||
if not inSST: # ... and proper SST
|
if not inSST: # ... and proper SST
|
||||||
theComponents = np.dot(basis['proper'],v)
|
theComponents = np.around(np.dot(basis['proper'],v),12)
|
||||||
inSST = np.all(theComponents >= 0.0)
|
inSST = np.all(theComponents >= 0.0)
|
||||||
else:
|
else:
|
||||||
v[2] = abs(v[2]) # z component projects identical
|
v[2] = abs(v[2]) # z component projects identical
|
||||||
theComponents = np.dot(basis['improper'],v) # for positive and negative values
|
theComponents = np.around(np.dot(basis['improper'],v),12) # for positive and negative values
|
||||||
inSST = np.all(theComponents >= 0.0)
|
inSST = np.all(theComponents >= 0.0)
|
||||||
|
|
||||||
if color: # have to return color array
|
if color: # have to return color array
|
||||||
|
|
@ -866,7 +878,7 @@ class Lattice:
|
||||||
[[ 17, 12, 5],[ 17, 7, 17]],
|
[[ 17, 12, 5],[ 17, 7, 17]],
|
||||||
[[ 5, 17, 12],[ 17, 17, 7]],
|
[[ 5, 17, 12],[ 17, 17, 7]],
|
||||||
[[ 12, -5,-17],[ 7,-17,-17]],
|
[[ 12, -5,-17],[ 7,-17,-17]],
|
||||||
[[-17,-12, 5],[-17, 7, 17]]],dtype='float')}
|
[[-17,-12, 5],[-17,-7, 17]]],dtype='float')}
|
||||||
|
|
||||||
# Greninger--Troiano' orientation relationship for fcc <-> bcc transformation
|
# Greninger--Troiano' orientation relationship for fcc <-> bcc transformation
|
||||||
# from Y. He et al., Journal of Applied Crystallography 39:72-81, 2006
|
# from Y. He et al., Journal of Applied Crystallography 39:72-81, 2006
|
||||||
|
|
@ -892,7 +904,7 @@ class Lattice:
|
||||||
[[-17,-17, 7],[-17, -5, 12]],
|
[[-17,-17, 7],[-17, -5, 12]],
|
||||||
[[ 7,-17,-17],[ 12,-17, -5]],
|
[[ 7,-17,-17],[ 12,-17, -5]],
|
||||||
[[ 17, -7,-17],[ 5, -12,-17]],
|
[[ 17, -7,-17],[ 5, -12,-17]],
|
||||||
[[ 17,-17, 7],[ 17, -5,-12]],
|
[[ 17,-17, -7],[ 17, -5,-12]],
|
||||||
[[ -7, 17,-17],[-12, 17, -5]],
|
[[ -7, 17,-17],[-12, 17, -5]],
|
||||||
[[-17, 7,-17],[ -5, 12,-17]],
|
[[-17, 7,-17],[ -5, 12,-17]],
|
||||||
[[-17, 17, -7],[-17, 5,-12]]],dtype='float'),
|
[[-17, 17, -7],[-17, 5,-12]]],dtype='float'),
|
||||||
|
|
@ -948,7 +960,7 @@ class Lattice:
|
||||||
[[ 2, 1, -1],[ 0, -1, 1]],
|
[[ 2, 1, -1],[ 0, -1, 1]],
|
||||||
[[ -1, -2, -1],[ 0, -1, 1]],
|
[[ -1, -2, -1],[ 0, -1, 1]],
|
||||||
[[ -1, 1, 2],[ 0, -1, 1]],
|
[[ -1, 1, 2],[ 0, -1, 1]],
|
||||||
[[ -1, 2, 1],[ 0, -1, 1]],
|
[[ 2, -1, 1],[ 0, -1, 1]], #It is wrong in the paper, but matrix is correct
|
||||||
[[ -1, 2, 1],[ 0, -1, 1]],
|
[[ -1, 2, 1],[ 0, -1, 1]],
|
||||||
[[ -1, -1, -2],[ 0, -1, 1]]],dtype='float')}
|
[[ -1, -1, -2],[ 0, -1, 1]]],dtype='float')}
|
||||||
|
|
||||||
|
|
@ -1016,7 +1028,7 @@ class Lattice:
|
||||||
https://doi.org/10.1016/j.actamat.2004.11.021
|
https://doi.org/10.1016/j.actamat.2004.11.021
|
||||||
|
|
||||||
"""
|
"""
|
||||||
models={'KS':self.KS, 'GT':self.GT, "GT'":self.GTprime,
|
models={'KS':self.KS, 'GT':self.GT, 'GT_prime':self.GTprime,
|
||||||
'NW':self.NW, 'Pitsch': self.Pitsch, 'Bain':self.Bain}
|
'NW':self.NW, 'Pitsch': self.Pitsch, 'Bain':self.Bain}
|
||||||
try:
|
try:
|
||||||
relationship = models[model]
|
relationship = models[model]
|
||||||
|
|
@ -1037,13 +1049,13 @@ class Lattice:
|
||||||
for miller in np.hstack((relationship['planes'],relationship['directions'])):
|
for miller in np.hstack((relationship['planes'],relationship['directions'])):
|
||||||
myPlane = miller[myPlane_id]/ np.linalg.norm(miller[myPlane_id])
|
myPlane = miller[myPlane_id]/ np.linalg.norm(miller[myPlane_id])
|
||||||
myDir = miller[myDir_id]/ np.linalg.norm(miller[myDir_id])
|
myDir = miller[myDir_id]/ np.linalg.norm(miller[myDir_id])
|
||||||
myMatrix = np.array([myDir,np.cross(myPlane,myDir),myPlane]).T
|
myMatrix = np.array([myDir,np.cross(myPlane,myDir),myPlane])
|
||||||
|
|
||||||
otherPlane = miller[otherPlane_id]/ np.linalg.norm(miller[otherPlane_id])
|
otherPlane = miller[otherPlane_id]/ np.linalg.norm(miller[otherPlane_id])
|
||||||
otherDir = miller[otherDir_id]/ np.linalg.norm(miller[otherDir_id])
|
otherDir = miller[otherDir_id]/ np.linalg.norm(miller[otherDir_id])
|
||||||
otherMatrix = np.array([otherDir,np.cross(otherPlane,otherDir),otherPlane]).T
|
otherMatrix = np.array([otherDir,np.cross(otherPlane,otherDir),otherPlane])
|
||||||
|
|
||||||
r['rotations'].append(Rotation.fromMatrix(np.dot(otherMatrix,myMatrix.T)))
|
r['rotations'].append(Rotation.fromMatrix(np.dot(otherMatrix.T,myMatrix)))
|
||||||
|
|
||||||
return r
|
return r
|
||||||
|
|
||||||
|
|
@ -1117,11 +1129,10 @@ class Orientation:
|
||||||
return (Orientation(r,self.lattice), i,j, k == 1) if symmetries else r # disorientation ...
|
return (Orientation(r,self.lattice), i,j, k == 1) if symmetries else r # disorientation ...
|
||||||
# ... own sym, other sym,
|
# ... own sym, other sym,
|
||||||
# self-->other: True, self<--other: False
|
# self-->other: True, self<--other: False
|
||||||
|
|
||||||
|
|
||||||
def inFZ(self):
|
def inFZ(self):
|
||||||
return self.lattice.symmetry.inFZ(self.rotation.asRodrigues(vector=True))
|
return self.lattice.symmetry.inFZ(self.rotation.asRodrigues(vector=True))
|
||||||
|
|
||||||
|
|
||||||
def equivalentOrientations(self,members=[]):
|
def equivalentOrientations(self,members=[]):
|
||||||
"""List of orientations which are symmetrically equivalent."""
|
"""List of orientations which are symmetrically equivalent."""
|
||||||
try:
|
try:
|
||||||
|
|
@ -1135,7 +1146,8 @@ class Orientation:
|
||||||
def relatedOrientations(self,model):
|
def relatedOrientations(self,model):
|
||||||
"""List of orientations related by the given orientation relationship."""
|
"""List of orientations related by the given orientation relationship."""
|
||||||
r = self.lattice.relationOperations(model)
|
r = self.lattice.relationOperations(model)
|
||||||
return [self.__class__(self.rotation*o,r['lattice']) for o in r['rotations']]
|
return [self.__class__(o*self.rotation,r['lattice']) for o in r['rotations']]
|
||||||
|
|
||||||
|
|
||||||
def reduced(self):
|
def reduced(self):
|
||||||
"""Transform orientation to fall into fundamental zone according to symmetry."""
|
"""Transform orientation to fall into fundamental zone according to symmetry."""
|
||||||
|
|
@ -1144,6 +1156,7 @@ class Orientation:
|
||||||
|
|
||||||
return self.__class__(me.rotation,self.lattice)
|
return self.__class__(me.rotation,self.lattice)
|
||||||
|
|
||||||
|
|
||||||
def inversePole(self,
|
def inversePole(self,
|
||||||
axis,
|
axis,
|
||||||
proper = False,
|
proper = False,
|
||||||
|
|
@ -1182,9 +1195,9 @@ class Orientation:
|
||||||
ref = orientations[0]
|
ref = orientations[0]
|
||||||
for o in orientations:
|
for o in orientations:
|
||||||
closest.append(o.equivalentOrientations(
|
closest.append(o.equivalentOrientations(
|
||||||
ref.disorientation(o,
|
ref.disorientation(o,
|
||||||
SST = False, # select (o[ther]'s) sym orientation
|
SST = False, # select (o[ther]'s) sym orientation
|
||||||
symmetries = True)[2]).rotation) # with lowest misorientation
|
symmetries = True)[2]).rotation) # with lowest misorientation
|
||||||
|
|
||||||
return Orientation(Rotation.fromAverage(closest,weights),ref.lattice)
|
return Orientation(Rotation.fromAverage(closest,weights),ref.lattice)
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -3,6 +3,8 @@ import re
|
||||||
import pandas as pd
|
import pandas as pd
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
||||||
|
from . import version
|
||||||
|
|
||||||
class Table():
|
class Table():
|
||||||
"""Store spreadsheet-like data."""
|
"""Store spreadsheet-like data."""
|
||||||
|
|
||||||
|
|
@ -69,12 +71,14 @@ class Table():
|
||||||
f = open(fname)
|
f = open(fname)
|
||||||
except TypeError:
|
except TypeError:
|
||||||
f = fname
|
f = fname
|
||||||
|
f.seek(0)
|
||||||
|
|
||||||
header,keyword = f.readline().split()
|
header,keyword = f.readline().split()
|
||||||
if keyword == 'header':
|
if keyword == 'header':
|
||||||
header = int(header)
|
header = int(header)
|
||||||
else:
|
else:
|
||||||
raise Exception
|
raise TypeError
|
||||||
|
|
||||||
comments = [f.readline()[:-1] for i in range(1,header)]
|
comments = [f.readline()[:-1] for i in range(1,header)]
|
||||||
labels = f.readline().split()
|
labels = f.readline().split()
|
||||||
|
|
||||||
|
|
@ -95,9 +99,52 @@ class Table():
|
||||||
|
|
||||||
return Table(data,shapes,comments)
|
return Table(data,shapes,comments)
|
||||||
|
|
||||||
|
@staticmethod
|
||||||
|
def from_ang(fname):
|
||||||
|
"""
|
||||||
|
Create table from TSL ang file.
|
||||||
|
|
||||||
|
A valid TSL ang file needs to contains the following columns:
|
||||||
|
* Euler angles (Bunge notation) in radians, 3 floats, label 'eu'.
|
||||||
|
* Spatial position in meters, 2 floats, label 'pos'.
|
||||||
|
* Image quality, 1 float, label 'IQ'.
|
||||||
|
* Confidence index, 1 float, label 'CI'.
|
||||||
|
* Phase ID, 1 int, label 'ID'.
|
||||||
|
* SEM signal, 1 float, label 'intensity'.
|
||||||
|
* Fit, 1 float, label 'fit'.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
fname : file, str, or pathlib.Path
|
||||||
|
Filename or file for reading.
|
||||||
|
|
||||||
|
"""
|
||||||
|
shapes = {'eu':(3,), 'pos':(2,),
|
||||||
|
'IQ':(1,), 'CI':(1,), 'ID':(1,), 'intensity':(1,), 'fit':(1,)}
|
||||||
|
try:
|
||||||
|
f = open(fname)
|
||||||
|
except TypeError:
|
||||||
|
f = fname
|
||||||
|
f.seek(0)
|
||||||
|
|
||||||
|
content = f.readlines()
|
||||||
|
|
||||||
|
comments = ['table.py:from_ang v {}'.format(version)]
|
||||||
|
for line in content:
|
||||||
|
if line.startswith('#'):
|
||||||
|
comments.append(line.strip())
|
||||||
|
else:
|
||||||
|
break
|
||||||
|
|
||||||
|
data = np.loadtxt(content)
|
||||||
|
for c in range(data.shape[1]-10):
|
||||||
|
shapes['n/a_{}'.format(c+1)] = (1,)
|
||||||
|
|
||||||
|
return Table(data,shapes,comments)
|
||||||
|
|
||||||
|
|
||||||
@property
|
@property
|
||||||
def labels(self):
|
def labels(self):
|
||||||
"""Return the labels of all columns."""
|
|
||||||
return list(self.shapes.keys())
|
return list(self.shapes.keys())
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -203,17 +250,17 @@ class Table():
|
||||||
'' if info is None else ': {}'.format(info),
|
'' if info is None else ': {}'.format(info),
|
||||||
))
|
))
|
||||||
|
|
||||||
self.shapes[label_new] = self.shapes.pop(label_old)
|
self.shapes = {(label if label != label_old else label_new):self.shapes[label] for label in self.shapes}
|
||||||
|
|
||||||
|
|
||||||
def sort_by(self,labels,ascending=True):
|
def sort_by(self,labels,ascending=True):
|
||||||
"""
|
"""
|
||||||
Get column data.
|
Sort table by values of given labels.
|
||||||
|
|
||||||
Parameters
|
Parameters
|
||||||
----------
|
----------
|
||||||
label : str or list
|
label : str or list
|
||||||
Column labels.
|
Column labels for sorting.
|
||||||
ascending : bool or list, optional
|
ascending : bool or list, optional
|
||||||
Set sort order.
|
Set sort order.
|
||||||
|
|
||||||
|
|
@ -224,6 +271,44 @@ class Table():
|
||||||
self.comments.append('sorted by [{}]'.format(', '.join(labels)))
|
self.comments.append('sorted by [{}]'.format(', '.join(labels)))
|
||||||
|
|
||||||
|
|
||||||
|
def append(self,other):
|
||||||
|
"""
|
||||||
|
Append other table vertically (similar to numpy.vstack).
|
||||||
|
|
||||||
|
Requires matching labels/shapes and order.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
other : Table
|
||||||
|
Table to append
|
||||||
|
|
||||||
|
"""
|
||||||
|
if self.shapes != other.shapes or not self.data.columns.equals(other.data.columns):
|
||||||
|
raise KeyError('Labels or shapes or order do not match')
|
||||||
|
else:
|
||||||
|
self.data = self.data.append(other.data,ignore_index=True)
|
||||||
|
|
||||||
|
|
||||||
|
def join(self,other):
|
||||||
|
"""
|
||||||
|
Append other table horizontally (similar to numpy.hstack).
|
||||||
|
|
||||||
|
Requires matching number of rows and no common labels.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
other : Table
|
||||||
|
Table to join
|
||||||
|
|
||||||
|
"""
|
||||||
|
if set(self.shapes) & set(other.shapes) or self.data.shape[0] != other.data.shape[0]:
|
||||||
|
raise KeyError('Dublicated keys or row count mismatch')
|
||||||
|
else:
|
||||||
|
self.data = self.data.join(other.data)
|
||||||
|
for key in other.shapes:
|
||||||
|
self.shapes[key] = other.shapes[key]
|
||||||
|
|
||||||
|
|
||||||
def to_ASCII(self,fname):
|
def to_ASCII(self,fname):
|
||||||
"""
|
"""
|
||||||
Store as plain text file.
|
Store as plain text file.
|
||||||
|
|
@ -234,8 +319,9 @@ class Table():
|
||||||
Filename or file for reading.
|
Filename or file for reading.
|
||||||
|
|
||||||
"""
|
"""
|
||||||
|
seen = set()
|
||||||
labels = []
|
labels = []
|
||||||
for l in self.shapes:
|
for l in [x for x in self.data.columns if not (x in seen or seen.add(x))]:
|
||||||
if(self.shapes[l] == (1,)):
|
if(self.shapes[l] == (1,)):
|
||||||
labels.append('{}'.format(l))
|
labels.append('{}'.format(l))
|
||||||
elif(len(self.shapes[l]) == 1):
|
elif(len(self.shapes[l]) == 1):
|
||||||
|
|
|
||||||
|
|
@ -7,9 +7,6 @@ from optparse import Option
|
||||||
from queue import Queue
|
from queue import Queue
|
||||||
from threading import Thread
|
from threading import Thread
|
||||||
|
|
||||||
|
|
||||||
import numpy as np
|
|
||||||
|
|
||||||
class bcolors:
|
class bcolors:
|
||||||
"""
|
"""
|
||||||
ASCII Colors (Blender code).
|
ASCII Colors (Blender code).
|
||||||
|
|
@ -64,19 +61,6 @@ def report(who = None,
|
||||||
croak( (emph(who)+': ' if who is not None else '') + (what if what is not None else '') + '\n' )
|
croak( (emph(who)+': ' if who is not None else '') + (what if what is not None else '') + '\n' )
|
||||||
|
|
||||||
|
|
||||||
# -----------------------------
|
|
||||||
def report_geom(info,
|
|
||||||
what = ['grid','size','origin','homogenization','microstructures']):
|
|
||||||
"""Reports (selected) geometry information."""
|
|
||||||
output = {
|
|
||||||
'grid' : 'grid a b c: {}'.format(' x '.join(list(map(str,info['grid' ])))),
|
|
||||||
'size' : 'size x y z: {}'.format(' x '.join(list(map(str,info['size' ])))),
|
|
||||||
'origin' : 'origin x y z: {}'.format(' : '.join(list(map(str,info['origin'])))),
|
|
||||||
'homogenization' : 'homogenization: {}'.format(info['homogenization']),
|
|
||||||
'microstructures' : 'microstructures: {}'.format(info['microstructures']),
|
|
||||||
}
|
|
||||||
for item in what: croak(output[item.lower()])
|
|
||||||
|
|
||||||
# -----------------------------
|
# -----------------------------
|
||||||
def emph(what):
|
def emph(what):
|
||||||
"""Formats string with emphasis."""
|
"""Formats string with emphasis."""
|
||||||
|
|
@ -119,30 +103,6 @@ def execute(cmd,
|
||||||
if process.returncode != 0: raise RuntimeError('{} failed with returncode {}'.format(cmd,process.returncode))
|
if process.returncode != 0: raise RuntimeError('{} failed with returncode {}'.format(cmd,process.returncode))
|
||||||
return out,error
|
return out,error
|
||||||
|
|
||||||
def coordGridAndSize(coordinates):
|
|
||||||
"""Determines grid count and overall physical size along each dimension of an ordered array of coordinates."""
|
|
||||||
dim = coordinates.shape[1]
|
|
||||||
coords = [np.unique(coordinates[:,i]) for i in range(dim)]
|
|
||||||
mincorner = np.array(list(map(min,coords)))
|
|
||||||
maxcorner = np.array(list(map(max,coords)))
|
|
||||||
grid = np.array(list(map(len,coords)),'i')
|
|
||||||
size = grid/np.maximum(np.ones(dim,'d'), grid-1.0) * (maxcorner-mincorner) # size from edge to edge = dim * n/(n-1)
|
|
||||||
size = np.where(grid > 1, size, min(size[grid > 1]/grid[grid > 1])) # spacing for grid==1 equal to smallest among other ones
|
|
||||||
delta = size/grid
|
|
||||||
|
|
||||||
N = grid.prod()
|
|
||||||
|
|
||||||
if N != len(coordinates):
|
|
||||||
raise ValueError('Data count {} does not match grid {}.'.format(len(coordinates),' x '.join(map(repr,grid))))
|
|
||||||
|
|
||||||
if np.any(np.abs(np.log10((coords[0][1:]-coords[0][:-1])/delta[0])) > 0.01) \
|
|
||||||
or np.any(np.abs(np.log10((coords[1][1:]-coords[1][:-1])/delta[1])) > 0.01):
|
|
||||||
raise ValueError('regular grid spacing {} violated.'.format(' x '.join(map(repr,delta))))
|
|
||||||
if dim==3 and np.any(np.abs(np.log10((coords[2][1:]-coords[2][:-1])/delta[2])) > 0.01):
|
|
||||||
raise ValueError('regular grid spacing {} violated.'.format(' x '.join(map(repr,delta))))
|
|
||||||
|
|
||||||
return grid,size
|
|
||||||
|
|
||||||
# -----------------------------
|
# -----------------------------
|
||||||
class extendableOption(Option):
|
class extendableOption(Option):
|
||||||
"""
|
"""
|
||||||
|
|
@ -221,263 +181,6 @@ class return_message():
|
||||||
return srepr(self.message)
|
return srepr(self.message)
|
||||||
|
|
||||||
|
|
||||||
def leastsqBound(func, x0, args=(), bounds=None, Dfun=None, full_output=0,
|
|
||||||
col_deriv=0, ftol=1.49012e-8, xtol=1.49012e-8,
|
|
||||||
gtol=0.0, maxfev=0, epsfcn=None, factor=100, diag=None):
|
|
||||||
from scipy.optimize import _minpack
|
|
||||||
"""
|
|
||||||
Non-linear least square fitting (Levenberg-Marquardt method) with
|
|
||||||
bounded parameters.
|
|
||||||
the codes of transformation between int <-> ext refers to the work of
|
|
||||||
Jonathan J. Helmus: https://github.com/jjhelmus/leastsqbound-scipy
|
|
||||||
other codes refer to the source code of minpack.py:
|
|
||||||
|
|
||||||
An internal parameter list is used to enforce contraints on the fitting
|
|
||||||
parameters. The transfomation is based on that of MINUIT package.
|
|
||||||
please see: F. James and M. Winkler. MINUIT User's Guide, 2004.
|
|
||||||
|
|
||||||
bounds : list
|
|
||||||
(min, max) pairs for each parameter, use None for 'min' or 'max'
|
|
||||||
when there is no bound in that direction.
|
|
||||||
For example: if there are two parameters needed to be fitting, then
|
|
||||||
bounds is [(min1,max1), (min2,max2)]
|
|
||||||
|
|
||||||
This function is based on 'leastsq' of minpack.py, the annotation of
|
|
||||||
other parameters can be found in 'least_squares.py'.
|
|
||||||
"""
|
|
||||||
|
|
||||||
def _check_func(checker, argname, thefunc, x0, args, numinputs,
|
|
||||||
output_shape=None):
|
|
||||||
from numpy import shape
|
|
||||||
"""The same as that of minpack.py"""
|
|
||||||
res = np.atleast_1d(thefunc(*((x0[:numinputs],) + args)))
|
|
||||||
if (output_shape is not None) and (shape(res) != output_shape):
|
|
||||||
if (output_shape[0] != 1):
|
|
||||||
if len(output_shape) > 1:
|
|
||||||
if output_shape[1] == 1:
|
|
||||||
return shape(res)
|
|
||||||
msg = "%s: there is a mismatch between the input and output " \
|
|
||||||
"shape of the '%s' argument" % (checker, argname)
|
|
||||||
func_name = getattr(thefunc, '__name__', None)
|
|
||||||
if func_name:
|
|
||||||
msg += " '%s'." % func_name
|
|
||||||
else:
|
|
||||||
msg += "."
|
|
||||||
raise TypeError(msg)
|
|
||||||
if np.issubdtype(res.dtype, np.inexact):
|
|
||||||
dt = res.dtype
|
|
||||||
else:
|
|
||||||
dt = dtype(float)
|
|
||||||
return shape(res), dt
|
|
||||||
|
|
||||||
def _int2extGrad(p_int, bounds):
|
|
||||||
"""Calculate the gradients of transforming the internal (unconstrained) to external (constrained) parameter."""
|
|
||||||
grad = np.empty_like(p_int)
|
|
||||||
for i, (x, bound) in enumerate(zip(p_int, bounds)):
|
|
||||||
lower, upper = bound
|
|
||||||
if lower is None and upper is None: # No constraints
|
|
||||||
grad[i] = 1.0
|
|
||||||
elif upper is None: # only lower bound
|
|
||||||
grad[i] = x/np.sqrt(x*x + 1.0)
|
|
||||||
elif lower is None: # only upper bound
|
|
||||||
grad[i] = -x/np.sqrt(x*x + 1.0)
|
|
||||||
else: # lower and upper bounds
|
|
||||||
grad[i] = (upper - lower)*np.cos(x)/2.0
|
|
||||||
return grad
|
|
||||||
|
|
||||||
def _int2extFunc(bounds):
|
|
||||||
"""Transform internal parameters into external parameters."""
|
|
||||||
local = [_int2extLocal(b) for b in bounds]
|
|
||||||
|
|
||||||
def _transform_i2e(p_int):
|
|
||||||
p_ext = np.empty_like(p_int)
|
|
||||||
p_ext[:] = [i(j) for i, j in zip(local, p_int)]
|
|
||||||
return p_ext
|
|
||||||
return _transform_i2e
|
|
||||||
|
|
||||||
def _ext2intFunc(bounds):
|
|
||||||
"""Transform external parameters into internal parameters."""
|
|
||||||
local = [_ext2intLocal(b) for b in bounds]
|
|
||||||
|
|
||||||
def _transform_e2i(p_ext):
|
|
||||||
p_int = np.empty_like(p_ext)
|
|
||||||
p_int[:] = [i(j) for i, j in zip(local, p_ext)]
|
|
||||||
return p_int
|
|
||||||
return _transform_e2i
|
|
||||||
|
|
||||||
def _int2extLocal(bound):
|
|
||||||
"""Transform a single internal parameter to an external parameter."""
|
|
||||||
lower, upper = bound
|
|
||||||
if lower is None and upper is None: # no constraints
|
|
||||||
return lambda x: x
|
|
||||||
elif upper is None: # only lower bound
|
|
||||||
return lambda x: lower - 1.0 + np.sqrt(x*x + 1.0)
|
|
||||||
elif lower is None: # only upper bound
|
|
||||||
return lambda x: upper + 1.0 - np.sqrt(x*x + 1.0)
|
|
||||||
else:
|
|
||||||
return lambda x: lower + ((upper - lower)/2.0)*(np.sin(x) + 1.0)
|
|
||||||
|
|
||||||
def _ext2intLocal(bound):
|
|
||||||
"""Transform a single external parameter to an internal parameter."""
|
|
||||||
lower, upper = bound
|
|
||||||
if lower is None and upper is None: # no constraints
|
|
||||||
return lambda x: x
|
|
||||||
elif upper is None: # only lower bound
|
|
||||||
return lambda x: np.sqrt((x - lower + 1.0)**2 - 1.0)
|
|
||||||
elif lower is None: # only upper bound
|
|
||||||
return lambda x: np.sqrt((x - upper - 1.0)**2 - 1.0)
|
|
||||||
else:
|
|
||||||
return lambda x: np.arcsin((2.0*(x - lower)/(upper - lower)) - 1.0)
|
|
||||||
|
|
||||||
i2e = _int2extFunc(bounds)
|
|
||||||
e2i = _ext2intFunc(bounds)
|
|
||||||
|
|
||||||
x0 = np.asarray(x0).flatten()
|
|
||||||
n = len(x0)
|
|
||||||
|
|
||||||
if len(bounds) != n:
|
|
||||||
raise ValueError('the length of bounds is inconsistent with the number of parameters ')
|
|
||||||
|
|
||||||
if not isinstance(args, tuple):
|
|
||||||
args = (args,)
|
|
||||||
|
|
||||||
shape, dtype = _check_func('leastsq', 'func', func, x0, args, n)
|
|
||||||
m = shape[0]
|
|
||||||
|
|
||||||
if n > m:
|
|
||||||
raise TypeError('Improper input: N=%s must not exceed M=%s' % (n, m))
|
|
||||||
if epsfcn is None:
|
|
||||||
epsfcn = np.finfo(dtype).eps
|
|
||||||
|
|
||||||
def funcWarp(x, *args):
|
|
||||||
return func(i2e(x), *args)
|
|
||||||
|
|
||||||
xi0 = e2i(x0)
|
|
||||||
|
|
||||||
if Dfun is None:
|
|
||||||
if maxfev == 0:
|
|
||||||
maxfev = 200*(n + 1)
|
|
||||||
retval = _minpack._lmdif(funcWarp, xi0, args, full_output, ftol, xtol,
|
|
||||||
gtol, maxfev, epsfcn, factor, diag)
|
|
||||||
else:
|
|
||||||
if col_deriv:
|
|
||||||
_check_func('leastsq', 'Dfun', Dfun, x0, args, n, (n, m))
|
|
||||||
else:
|
|
||||||
_check_func('leastsq', 'Dfun', Dfun, x0, args, n, (m, n))
|
|
||||||
if maxfev == 0:
|
|
||||||
maxfev = 100*(n + 1)
|
|
||||||
|
|
||||||
def DfunWarp(x, *args):
|
|
||||||
return Dfun(i2e(x), *args)
|
|
||||||
|
|
||||||
retval = _minpack._lmder(funcWarp, DfunWarp, xi0, args, full_output, col_deriv,
|
|
||||||
ftol, xtol, gtol, maxfev, factor, diag)
|
|
||||||
|
|
||||||
errors = {0: ["Improper input parameters.", TypeError],
|
|
||||||
1: ["Both actual and predicted relative reductions "
|
|
||||||
"in the sum of squares\n are at most %f" % ftol, None],
|
|
||||||
2: ["The relative error between two consecutive "
|
|
||||||
"iterates is at most %f" % xtol, None],
|
|
||||||
3: ["Both actual and predicted relative reductions in "
|
|
||||||
"the sum of squares\n are at most %f and the "
|
|
||||||
"relative error between two consecutive "
|
|
||||||
"iterates is at \n most %f" % (ftol, xtol), None],
|
|
||||||
4: ["The cosine of the angle between func(x) and any "
|
|
||||||
"column of the\n Jacobian is at most %f in "
|
|
||||||
"absolute value" % gtol, None],
|
|
||||||
5: ["Number of calls to function has reached "
|
|
||||||
"maxfev = %d." % maxfev, ValueError],
|
|
||||||
6: ["ftol=%f is too small, no further reduction "
|
|
||||||
"in the sum of squares\n is possible.""" % ftol,
|
|
||||||
ValueError],
|
|
||||||
7: ["xtol=%f is too small, no further improvement in "
|
|
||||||
"the approximate\n solution is possible." % xtol,
|
|
||||||
ValueError],
|
|
||||||
8: ["gtol=%f is too small, func(x) is orthogonal to the "
|
|
||||||
"columns of\n the Jacobian to machine "
|
|
||||||
"precision." % gtol, ValueError],
|
|
||||||
'unknown': ["Unknown error.", TypeError]}
|
|
||||||
|
|
||||||
info = retval[-1] # The FORTRAN return value
|
|
||||||
|
|
||||||
if info not in [1, 2, 3, 4] and not full_output:
|
|
||||||
if info in [5, 6, 7, 8]:
|
|
||||||
np.warnings.warn(errors[info][0], RuntimeWarning)
|
|
||||||
else:
|
|
||||||
try:
|
|
||||||
raise errors[info][1](errors[info][0])
|
|
||||||
except KeyError:
|
|
||||||
raise errors['unknown'][1](errors['unknown'][0])
|
|
||||||
|
|
||||||
mesg = errors[info][0]
|
|
||||||
x = i2e(retval[0])
|
|
||||||
|
|
||||||
if full_output:
|
|
||||||
grad = _int2extGrad(retval[0], bounds)
|
|
||||||
retval[1]['fjac'] = (retval[1]['fjac'].T / np.take(grad,
|
|
||||||
retval[1]['ipvt'] - 1)).T
|
|
||||||
cov_x = None
|
|
||||||
if info in [1, 2, 3, 4]:
|
|
||||||
from numpy.dual import inv
|
|
||||||
from numpy.linalg import LinAlgError
|
|
||||||
perm = np.take(np.eye(n), retval[1]['ipvt'] - 1, 0)
|
|
||||||
r = np.triu(np.transpose(retval[1]['fjac'])[:n, :])
|
|
||||||
R = np.dot(r, perm)
|
|
||||||
try:
|
|
||||||
cov_x = inv(np.dot(np.transpose(R), R))
|
|
||||||
except LinAlgError as inverror:
|
|
||||||
print(inverror)
|
|
||||||
pass
|
|
||||||
return (x, cov_x) + retval[1:-1] + (mesg, info)
|
|
||||||
else:
|
|
||||||
return (x, info)
|
|
||||||
|
|
||||||
def _general_function(params, ydata, xdata, function):
|
|
||||||
return function(xdata, *params) - ydata
|
|
||||||
def _weighted_general_function(params, ydata, xdata, function, weights):
|
|
||||||
return (function(xdata, *params) - ydata)*weights
|
|
||||||
|
|
||||||
def curve_fit_bound(f, xdata, ydata, p0=None, sigma=None, bounds=None, **kw):
|
|
||||||
"""Similar as 'curve_fit' in minpack.py."""
|
|
||||||
if p0 is None:
|
|
||||||
# determine number of parameters by inspecting the function
|
|
||||||
import inspect
|
|
||||||
args, varargs, varkw, defaults = inspect.getargspec(f)
|
|
||||||
if len(args) < 2:
|
|
||||||
msg = "Unable to determine number of fit parameters."
|
|
||||||
raise ValueError(msg)
|
|
||||||
if 'self' in args:
|
|
||||||
p0 = [1.0] * (len(args)-2)
|
|
||||||
else:
|
|
||||||
p0 = [1.0] * (len(args)-1)
|
|
||||||
|
|
||||||
if np.isscalar(p0):
|
|
||||||
p0 = np.array([p0])
|
|
||||||
|
|
||||||
args = (ydata, xdata, f)
|
|
||||||
if sigma is None:
|
|
||||||
func = _general_function
|
|
||||||
else:
|
|
||||||
func = _weighted_general_function
|
|
||||||
args += (1.0/np.asarray(sigma),)
|
|
||||||
|
|
||||||
return_full = kw.pop('full_output', False)
|
|
||||||
res = leastsqBound(func, p0, args=args, bounds = bounds, full_output=True, **kw)
|
|
||||||
(popt, pcov, infodict, errmsg, ier) = res
|
|
||||||
|
|
||||||
if ier not in [1, 2, 3, 4]:
|
|
||||||
msg = "Optimal parameters not found: " + errmsg
|
|
||||||
raise RuntimeError(msg)
|
|
||||||
|
|
||||||
if (len(ydata) > len(p0)) and pcov is not None:
|
|
||||||
s_sq = (func(popt, *args)**2).sum()/(len(ydata)-len(p0))
|
|
||||||
pcov = pcov * s_sq
|
|
||||||
else:
|
|
||||||
pcov = np.inf
|
|
||||||
|
|
||||||
return (popt, pcov, infodict, errmsg, ier) if return_full else (popt, pcov)
|
|
||||||
|
|
||||||
|
|
||||||
class ThreadPool:
|
class ThreadPool:
|
||||||
"""Pool of threads consuming tasks from a queue."""
|
"""Pool of threads consuming tasks from a queue."""
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -15,6 +15,7 @@ setuptools.setup(
|
||||||
packages=setuptools.find_packages(),
|
packages=setuptools.find_packages(),
|
||||||
include_package_data=True,
|
include_package_data=True,
|
||||||
install_requires = [
|
install_requires = [
|
||||||
|
"pandas",
|
||||||
"scipy",
|
"scipy",
|
||||||
"h5py",
|
"h5py",
|
||||||
"vtk"
|
"vtk"
|
||||||
|
|
|
||||||
Binary file not shown.
Binary file not shown.
Binary file not shown.
Binary file not shown.
|
|
@ -0,0 +1,38 @@
|
||||||
|
% Start MTEX first in Matlab
|
||||||
|
|
||||||
|
tmp = matlab.desktop.editor.getActive;
|
||||||
|
cd(fileparts(tmp.Filename));
|
||||||
|
|
||||||
|
symmetry = {crystalSymmetry('m-3m', [1 1 1], 'mineral', 'Iron', 'color', 'light blue')}
|
||||||
|
|
||||||
|
% plotting convention
|
||||||
|
setMTEXpref('xAxisDirection','north');
|
||||||
|
setMTEXpref('zAxisDirection','outOfPlane');
|
||||||
|
|
||||||
|
|
||||||
|
lattice_types = {'BCC','FCC'};
|
||||||
|
models = {'Bain','GT','GT_prime','KS','NW','Pitsch'};
|
||||||
|
|
||||||
|
rotation = containers.Map;
|
||||||
|
rotation('BCC') = 'Passive Rotation';
|
||||||
|
rotation('FCC') = 'Active Rotation';
|
||||||
|
|
||||||
|
for lattice = lattice_types
|
||||||
|
for p = 0:length(models)/3-1
|
||||||
|
EBSD_data = {loadEBSD(strcat(lattice,'_',models{p*3+1},'.txt'),symmetry,'interface','generic',...
|
||||||
|
'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice))),
|
||||||
|
loadEBSD(strcat(lattice,'_',models{p*3+2},'.txt'),symmetry,'interface','generic',...
|
||||||
|
'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice))),
|
||||||
|
loadEBSD(strcat(lattice,'_',models{p*3+3},'.txt'),symmetry,'interface','generic',...
|
||||||
|
'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice)))}
|
||||||
|
h = [Miller(1,0,0,symmetry{1}),Miller(1,1,0,symmetry{1}),Miller(1,1,1,symmetry{1})]; % 3 pole figures
|
||||||
|
plotPDF(EBSD_data{1}.orientations,h,'MarkerSize',5,'MarkerColor','r','DisplayName',models{p*3+1})
|
||||||
|
hold on
|
||||||
|
plotPDF(EBSD_data{2}.orientations,h,'MarkerSize',4,'MarkerColor','b','DisplayName',models{p*3+2})
|
||||||
|
plotPDF(EBSD_data{3}.orientations,h,'MarkerSize',3,'MarkerColor','g','DisplayName',models{p*3+3})
|
||||||
|
legend('show','location','southoutside','Interpreter', 'none')
|
||||||
|
orient('landscape')
|
||||||
|
print('-bestfit',strcat(int2str(p+1),'_',char(lattice),'.pdf'),'-dpdf')
|
||||||
|
close
|
||||||
|
end
|
||||||
|
end
|
||||||
|
|
@ -0,0 +1,5 @@
|
||||||
|
1 header
|
||||||
|
1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos
|
||||||
|
0.0 45.00000000000001 0.0 1 1
|
||||||
|
90.0 45.00000000000001 270.0 1 2
|
||||||
|
45.00000000000001 0.0 0.0 1 3
|
||||||
|
|
@ -0,0 +1,26 @@
|
||||||
|
1 header
|
||||||
|
1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos
|
||||||
|
283.60440567265294 9.976439066337804 33.24637065555936 1 1
|
||||||
|
167.8261034151001 43.397849654402556 183.40022280897963 1 2
|
||||||
|
262.1156357053931 43.82007387041961 104.07478363123654 1 3
|
||||||
|
103.604405672653 9.976439066337804 213.24637065555936 1 4
|
||||||
|
347.8261034151001 43.39784965440255 3.400222808979685 1 5
|
||||||
|
82.11563570539313 43.82007387041961 284.0747836312365 1 6
|
||||||
|
76.39559432734703 9.976439066337806 326.75362934444064 1 7
|
||||||
|
192.17389658489986 43.397849654402556 176.59977719102034 1 8
|
||||||
|
97.88436429460687 43.82007387041961 255.92521636876344 1 9
|
||||||
|
256.395594327347 9.976439066337804 146.75362934444064 1 10
|
||||||
|
12.173896584899929 43.39784965440254 356.59977719102034 1 11
|
||||||
|
277.8843642946069 43.82007387041961 75.92521636876346 1 12
|
||||||
|
102.17389658489992 43.39784965440254 266.59977719102034 1 13
|
||||||
|
346.395594327347 9.976439066337804 56.75362934444064 1 14
|
||||||
|
7.884364294606862 43.82007387041961 345.9252163687635 1 15
|
||||||
|
282.17389658489986 43.39784965440254 86.59977719102032 1 16
|
||||||
|
166.39559432734703 9.976439066337804 236.75362934444058 1 17
|
||||||
|
187.88436429460683 43.82007387041961 165.92521636876344 1 18
|
||||||
|
257.8261034151001 43.39784965440255 93.40022280897969 1 19
|
||||||
|
13.604405672652977 9.976439066337804 303.24637065555936 1 20
|
||||||
|
352.1156357053931 43.82007387041961 14.074783631236542 1 21
|
||||||
|
77.82610341510008 43.397849654402556 273.4002228089796 1 22
|
||||||
|
193.60440567265297 9.976439066337806 123.24637065555939 1 23
|
||||||
|
172.11563570539317 43.82007387041961 194.07478363123653 1 24
|
||||||
|
|
@ -0,0 +1,26 @@
|
||||||
|
1 header
|
||||||
|
1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos
|
||||||
|
303.24637065555936 9.976439066337804 13.604405672652977 1 1
|
||||||
|
165.92521636876344 43.82007387041961 187.88436429460683 1 2
|
||||||
|
266.59977719102034 43.39784965440254 102.17389658489992 1 3
|
||||||
|
123.24637065555939 9.976439066337804 193.604405672653 1 4
|
||||||
|
345.9252163687635 43.82007387041961 7.884364294606862 1 5
|
||||||
|
86.59977719102032 43.39784965440254 282.17389658489986 1 6
|
||||||
|
56.75362934444064 9.976439066337804 346.395594327347 1 7
|
||||||
|
194.07478363123653 43.82007387041961 172.11563570539317 1 8
|
||||||
|
93.40022280897969 43.39784965440255 257.8261034151001 1 9
|
||||||
|
236.75362934444058 9.976439066337804 166.39559432734697 1 10
|
||||||
|
14.074783631236542 43.82007387041961 352.1156357053931 1 11
|
||||||
|
273.4002228089796 43.397849654402556 77.82610341510008 1 12
|
||||||
|
104.07478363123654 43.82007387041961 262.1156357053931 1 13
|
||||||
|
326.75362934444064 9.976439066337806 76.39559432734703 1 14
|
||||||
|
3.400222808979685 43.39784965440255 347.8261034151001 1 15
|
||||||
|
284.0747836312365 43.82007387041961 82.11563570539313 1 16
|
||||||
|
146.75362934444064 9.976439066337804 256.395594327347 1 17
|
||||||
|
183.40022280897963 43.397849654402556 167.8261034151001 1 18
|
||||||
|
255.92521636876344 43.82007387041961 97.88436429460687 1 19
|
||||||
|
33.24637065555936 9.976439066337804 283.60440567265294 1 20
|
||||||
|
356.59977719102034 43.39784965440254 12.173896584899929 1 21
|
||||||
|
75.92521636876346 43.82007387041961 277.8843642946069 1 22
|
||||||
|
213.24637065555936 9.976439066337804 103.604405672653 1 23
|
||||||
|
176.59977719102034 43.397849654402556 192.17389658489986 1 24
|
||||||
|
|
@ -0,0 +1,26 @@
|
||||||
|
1 header
|
||||||
|
1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos
|
||||||
|
335.7965716606702 10.528779365509317 65.79657166067024 1 1
|
||||||
|
228.77270547567446 80.40593177313953 85.64260312151849 1 2
|
||||||
|
131.22729452432552 80.40593177313954 4.357396878481506 1 3
|
||||||
|
24.20342833932977 10.52877936550932 24.20342833932976 1 4
|
||||||
|
221.95489158457983 85.70366403943002 80.37863910890589 1 5
|
||||||
|
138.04510841542015 85.70366403943004 9.621360891094124 1 6
|
||||||
|
131.22729452432552 80.40593177313953 94.35739687848151 1 7
|
||||||
|
24.203428339329765 10.52877936550932 114.20342833932976 1 8
|
||||||
|
221.95489158457983 85.70366403943004 170.37863910890587 1 9
|
||||||
|
138.04510841542015 85.70366403943004 99.62136089109411 1 10
|
||||||
|
335.7965716606702 10.52877936550932 155.79657166067025 1 11
|
||||||
|
228.77270547567448 80.40593177313954 175.6426031215185 1 12
|
||||||
|
335.7965716606702 10.52877936550932 335.7965716606702 1 13
|
||||||
|
228.77270547567448 80.40593177313954 355.6426031215185 1 14
|
||||||
|
131.2272945243255 80.40593177313954 274.35739687848144 1 15
|
||||||
|
24.203428339329747 10.52877936550932 294.2034283393298 1 16
|
||||||
|
221.95489158457985 85.70366403943004 350.3786391089059 1 17
|
||||||
|
138.04510841542015 85.70366403943004 279.6213608910941 1 18
|
||||||
|
41.95489158457986 94.29633596056998 9.621360891094133 1 19
|
||||||
|
318.04510841542015 94.29633596056996 80.37863910890589 1 20
|
||||||
|
155.79657166067025 169.4712206344907 24.203428339329754 1 21
|
||||||
|
48.77270547567448 99.59406822686046 4.357396878481504 1 22
|
||||||
|
311.2272945243255 99.59406822686046 85.64260312151852 1 23
|
||||||
|
204.20342833932975 169.4712206344907 65.79657166067024 1 24
|
||||||
|
|
@ -0,0 +1,14 @@
|
||||||
|
1 header
|
||||||
|
1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos
|
||||||
|
225.41555594321144 83.13253115922213 83.08266205989301 1 1
|
||||||
|
134.58444405678856 83.13253115922211 6.917337940107012 1 2
|
||||||
|
4.702125169424418e-15 9.735610317245317 45.0 1 3
|
||||||
|
134.58444405678856 83.13253115922213 276.91733794010696 1 4
|
||||||
|
225.4155559432114 83.13253115922213 353.082662059893 1 5
|
||||||
|
0.0 9.735610317245317 315.0 1 6
|
||||||
|
134.58444405678858 83.13253115922213 96.91733794010702 1 7
|
||||||
|
225.41555594321142 83.13253115922213 173.082662059893 1 8
|
||||||
|
0.0 9.735610317245317 135.0 1 9
|
||||||
|
99.59803029876785 45.81931182053557 166.36129272052355 1 10
|
||||||
|
260.40196970123213 45.81931182053556 283.6387072794765 1 11
|
||||||
|
180.0 99.73561031724535 225.0 1 12
|
||||||
|
|
@ -0,0 +1,14 @@
|
||||||
|
1 header
|
||||||
|
1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos
|
||||||
|
6.9173379401070045 83.13253115922213 44.58444405678856 1 1
|
||||||
|
45.0 89.99999999999999 279.7356103172453 1 2
|
||||||
|
166.36129272052352 45.819311820535574 279.59803029876787 1 3
|
||||||
|
83.08266205989301 83.13253115922213 225.41555594321144 1 4
|
||||||
|
256.3612927205235 45.819311820535574 189.59803029876787 1 5
|
||||||
|
315.0 90.0 9.735610317245369 1 6
|
||||||
|
186.917337940107 83.13253115922213 224.58444405678856 1 7
|
||||||
|
315.0 90.0 80.26438968275463 1 8
|
||||||
|
13.638707279476478 45.81931182053557 260.40196970123213 1 9
|
||||||
|
263.082662059893 83.13253115922213 45.415555943211444 1 10
|
||||||
|
103.63870727947646 45.819311820535574 170.40196970123213 1 11
|
||||||
|
224.99999999999997 90.0 170.26438968275465 1 12
|
||||||
|
|
@ -0,0 +1,5 @@
|
||||||
|
1 header
|
||||||
|
1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos
|
||||||
|
180.0 45.00000000000001 180.0 1 1
|
||||||
|
270.0 45.00000000000001 90.0 1 2
|
||||||
|
315.0 0.0 0.0 1 3
|
||||||
|
|
@ -0,0 +1,26 @@
|
||||||
|
1 header
|
||||||
|
1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos
|
||||||
|
146.75362934444064 9.976439066337804 256.395594327347 1 1
|
||||||
|
356.59977719102034 43.39784965440254 12.173896584899929 1 2
|
||||||
|
75.92521636876346 43.82007387041961 277.8843642946069 1 3
|
||||||
|
326.75362934444064 9.976439066337806 76.39559432734703 1 4
|
||||||
|
176.59977719102034 43.397849654402556 192.17389658489986 1 5
|
||||||
|
255.92521636876344 43.82007387041961 97.88436429460687 1 6
|
||||||
|
213.24637065555936 9.976439066337804 103.604405672653 1 7
|
||||||
|
3.400222808979685 43.39784965440255 347.8261034151001 1 8
|
||||||
|
284.0747836312365 43.82007387041961 82.11563570539313 1 9
|
||||||
|
33.24637065555936 9.976439066337804 283.60440567265294 1 10
|
||||||
|
183.40022280897963 43.397849654402556 167.8261034151001 1 11
|
||||||
|
104.07478363123654 43.82007387041961 262.1156357053931 1 12
|
||||||
|
273.4002228089796 43.397849654402556 77.82610341510008 1 13
|
||||||
|
123.24637065555939 9.976439066337806 193.60440567265297 1 14
|
||||||
|
194.07478363123653 43.82007387041961 172.11563570539317 1 15
|
||||||
|
93.40022280897969 43.39784965440255 257.8261034151001 1 16
|
||||||
|
303.24637065555936 9.976439066337804 13.604405672652977 1 17
|
||||||
|
14.074783631236542 43.82007387041961 352.1156357053931 1 18
|
||||||
|
86.59977719102032 43.39784965440254 282.17389658489986 1 19
|
||||||
|
236.75362934444058 9.976439066337804 166.39559432734703 1 20
|
||||||
|
165.92521636876344 43.82007387041961 187.88436429460683 1 21
|
||||||
|
266.59977719102034 43.39784965440254 102.17389658489992 1 22
|
||||||
|
56.75362934444064 9.976439066337804 346.395594327347 1 23
|
||||||
|
345.9252163687635 43.82007387041961 7.884364294606862 1 24
|
||||||
|
|
@ -0,0 +1,26 @@
|
||||||
|
1 header
|
||||||
|
1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos
|
||||||
|
166.39559432734697 9.976439066337804 236.75362934444058 1 1
|
||||||
|
352.1156357053931 43.82007387041961 14.074783631236542 1 2
|
||||||
|
77.82610341510008 43.397849654402556 273.4002228089796 1 3
|
||||||
|
346.395594327347 9.976439066337804 56.75362934444064 1 4
|
||||||
|
172.11563570539317 43.82007387041961 194.07478363123653 1 5
|
||||||
|
257.8261034151001 43.39784965440255 93.40022280897969 1 6
|
||||||
|
193.604405672653 9.976439066337804 123.24637065555939 1 7
|
||||||
|
7.884364294606862 43.82007387041961 345.9252163687635 1 8
|
||||||
|
282.17389658489986 43.39784965440254 86.59977719102032 1 9
|
||||||
|
13.604405672652977 9.976439066337804 303.24637065555936 1 10
|
||||||
|
187.88436429460683 43.82007387041961 165.92521636876344 1 11
|
||||||
|
102.17389658489992 43.39784965440254 266.59977719102034 1 12
|
||||||
|
277.8843642946069 43.82007387041961 75.92521636876346 1 13
|
||||||
|
103.604405672653 9.976439066337804 213.24637065555936 1 14
|
||||||
|
192.17389658489986 43.397849654402556 176.59977719102034 1 15
|
||||||
|
97.88436429460687 43.82007387041961 255.92521636876344 1 16
|
||||||
|
283.60440567265294 9.976439066337804 33.24637065555936 1 17
|
||||||
|
12.173896584899929 43.39784965440254 356.59977719102034 1 18
|
||||||
|
82.11563570539313 43.82007387041961 284.0747836312365 1 19
|
||||||
|
256.395594327347 9.976439066337804 146.75362934444064 1 20
|
||||||
|
167.8261034151001 43.397849654402556 183.40022280897963 1 21
|
||||||
|
262.1156357053931 43.82007387041961 104.07478363123654 1 22
|
||||||
|
76.39559432734703 9.976439066337806 326.75362934444064 1 23
|
||||||
|
347.8261034151001 43.39784965440255 3.400222808979685 1 24
|
||||||
|
|
@ -0,0 +1,26 @@
|
||||||
|
1 header
|
||||||
|
1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos
|
||||||
|
114.20342833932975 10.52877936550932 204.20342833932972 1 1
|
||||||
|
94.3573968784815 80.40593177313954 311.22729452432543 1 2
|
||||||
|
175.6426031215185 80.40593177313954 48.77270547567447 1 3
|
||||||
|
155.79657166067025 10.52877936550932 155.79657166067025 1 4
|
||||||
|
99.62136089109411 85.70366403943004 318.04510841542015 1 5
|
||||||
|
170.37863910890587 85.70366403943002 41.954891584579855 1 6
|
||||||
|
85.64260312151852 80.40593177313954 48.77270547567448 1 7
|
||||||
|
65.79657166067024 10.52877936550932 155.79657166067025 1 8
|
||||||
|
9.621360891094124 85.70366403943004 318.04510841542015 1 9
|
||||||
|
80.37863910890587 85.70366403943004 41.95489158457987 1 10
|
||||||
|
24.203428339329758 10.52877936550932 204.20342833932975 1 11
|
||||||
|
4.357396878481486 80.40593177313954 311.2272945243255 1 12
|
||||||
|
204.20342833932972 10.52877936550932 204.20342833932972 1 13
|
||||||
|
184.35739687848147 80.40593177313954 311.2272945243255 1 14
|
||||||
|
265.64260312151845 80.40593177313953 48.77270547567449 1 15
|
||||||
|
245.79657166067025 10.528779365509317 155.79657166067025 1 16
|
||||||
|
189.62136089109413 85.70366403943004 318.04510841542015 1 17
|
||||||
|
260.3786391089059 85.70366403943002 41.954891584579855 1 18
|
||||||
|
170.37863910890587 94.29633596056996 138.04510841542015 1 19
|
||||||
|
99.62136089109411 94.29633596056998 221.95489158457983 1 20
|
||||||
|
155.79657166067025 169.4712206344907 24.203428339329754 1 21
|
||||||
|
175.64260312151848 99.59406822686046 131.22729452432552 1 22
|
||||||
|
94.35739687848151 99.59406822686046 228.77270547567446 1 23
|
||||||
|
114.20342833932975 169.4712206344907 335.7965716606702 1 24
|
||||||
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Reference in New Issue