Merge remote-tracking branch 'origin/development' into fix-orientation-relationship-2
This commit is contained in:
Martin Diehl
commit
6dfe24290c
|
|
@ -3,8 +3,8 @@
|
|||
# always use LF, even if the files are edited on windows, they need to be compiled/used on unix
|
||||
* text eol=lf
|
||||
|
||||
installation/mods_Abaqus/abaqus_v6_windows.env eol=crlf
|
||||
# Denote all files that are truly binary and should not be modified.
|
||||
*.png binary
|
||||
*.jpg binary
|
||||
*.cae binary
|
||||
*.hdf5 binary
|
||||
|
|
|
|||
|
|
@ -1,6 +1,7 @@
|
|||
---
|
||||
stages:
|
||||
- prepareAll
|
||||
- python
|
||||
- preprocessing
|
||||
- postprocessing
|
||||
- compilePETSc
|
||||
|
|
@ -103,6 +104,16 @@ checkout:
|
|||
- master
|
||||
- release
|
||||
|
||||
###################################################################################################
|
||||
Pytest:
|
||||
stage: python
|
||||
script:
|
||||
- cd $DAMASKROOT/python
|
||||
- pytest
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
###################################################################################################
|
||||
OrientationRelationship:
|
||||
stage: preprocessing
|
||||
|
|
@ -308,13 +319,6 @@ nonlocal_densityConservation:
|
|||
- master
|
||||
- release
|
||||
|
||||
Spectral_ipNeighborhood:
|
||||
stage: grid
|
||||
script: Spectral_ipNeighborhood/test.py
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
RGC_DetectChanges:
|
||||
stage: grid
|
||||
script: RGC_DetectChanges/test.py
|
||||
|
|
@ -506,7 +510,6 @@ Processing:
|
|||
stage: createDocumentation
|
||||
script:
|
||||
- cd $DAMASKROOT/processing/pre
|
||||
- rm abq_addUserOutput.py marc_addUserOutput.py
|
||||
- $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
|
||||
- cd $DAMASKROOT/processing/post
|
||||
- rm vtk2ang.py DAD*.py
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
########################################################################################
|
||||
# Compiler options for building DAMASK
|
||||
cmake_minimum_required (VERSION 3.6.0 FATAL_ERROR)
|
||||
cmake_minimum_required (VERSION 3.10.0 FATAL_ERROR)
|
||||
|
||||
#---------------------------------------------------------------------------------------
|
||||
# Find PETSc from system environment
|
||||
|
|
|
|||
2
PRIVATE
2
PRIVATE
|
|
@ -1 +1 @@
|
|||
Subproject commit 214c69be8b51adb39eb7ad25b139727c8b98afce
|
||||
Subproject commit 524e86c117d816e3bd873eed7663e258a6f2e139
|
||||
|
|
@ -1,9 +0,0 @@
|
|||
[all]
|
||||
(output) orientation # quaternion
|
||||
(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4) in crystal reference coordinates
|
||||
(output) F # deformation gradient tensor
|
||||
(output) Fe # elastic deformation gradient tensor
|
||||
(output) Fp # plastic deformation gradient tensor
|
||||
(output) P # first Piola-Kichhoff stress tensor
|
||||
(output) S # second Piola-Kichhoff stress tensor
|
||||
(output) Lp # plastic velocity gradient tensor
|
||||
|
|
@ -14,7 +14,7 @@ SolidSolutionStrength 1.5e8 # Strength due to elements in solid solution
|
|||
|
||||
### Dislocation glide parameters ###
|
||||
#per family
|
||||
Nslip 12 0
|
||||
Nslip 12
|
||||
slipburgers 2.72e-10 # Burgers vector of slip system [m]
|
||||
rhoedge0 1.0e12 # Initial edge dislocation density [m/m**3]
|
||||
rhoedgedip0 1.0 # Initial edged dipole dislocation density [m/m**3]
|
||||
|
|
|
|||
|
|
@ -4,58 +4,23 @@ elasticity hooke
|
|||
plasticity nonlocal
|
||||
/nonlocal/
|
||||
|
||||
(output) rho
|
||||
(output) rho_edge
|
||||
(output) rho_screw
|
||||
(output) rho_sgl
|
||||
(output) rho_sgl_edge_pos
|
||||
(output) rho_sgl_edge_neg
|
||||
(output) rho_sgl_screw_pos
|
||||
(output) rho_sgl_screw_neg
|
||||
(output) rho_sgl_edge_pos_mobile
|
||||
(output) rho_sgl_edge_neg_mobile
|
||||
(output) rho_sgl_screw_pos_mobile
|
||||
(output) rho_sgl_screw_neg_mobile
|
||||
(output) rho_sgl_edge_pos_immobile
|
||||
(output) rho_sgl_edge_neg_immobile
|
||||
(output) rho_sgl_screw_pos_immobile
|
||||
(output) rho_sgl_screw_neg_immobile
|
||||
(output) rho_dip_edge
|
||||
(output) rho_dip_screw
|
||||
(output) rho_sgl_mob_edg_pos
|
||||
(output) rho_sgl_imm_edg_pos
|
||||
(output) rho_sgl_mob_edg_neg
|
||||
(output) rho_sgl_imm_edg_neg
|
||||
(output) rho_sgl_mob_scr_pos
|
||||
(output) rho_sgl_imm_scr_pos
|
||||
(output) rho_sgl_mob_scr_neg
|
||||
(output) rho_sgl_imm_scr_neg
|
||||
(output) rho_dip_edg
|
||||
(output) rho_dip_scr
|
||||
(output) rho_forest
|
||||
(output) delta
|
||||
(output) delta_sgl
|
||||
(output) delta_dip
|
||||
(output) shearrate
|
||||
(output) resolvedstress
|
||||
(output) resolvedstress_back
|
||||
(output) resolvedstress_external
|
||||
(output) resistance
|
||||
(output) rho_dot
|
||||
(output) rho_dot_sgl
|
||||
(output) rho_dot_sgl_mobile
|
||||
(output) rho_dot_dip
|
||||
(output) rho_dot_gen_edge
|
||||
(output) rho_dot_gen_screw
|
||||
(output) rho_dot_sgl2dip_edge
|
||||
(output) rho_dot_sgl2dip_screw
|
||||
(output) rho_dot_ann_ath
|
||||
(output) rho_dot_ann_the
|
||||
(output) rho_dot_ann_the_edge
|
||||
(output) rho_dot_ann_the_screw
|
||||
(output) rho_dot_edgejogs
|
||||
(output) rho_dot_flux
|
||||
(output) rho_dot_flux_mobile
|
||||
(output) rho_dot_flux_edge
|
||||
(output) rho_dot_flux_screw
|
||||
(output) velocity_edge_pos
|
||||
(output) velocity_edge_neg
|
||||
(output) velocity_screw_pos
|
||||
(output) velocity_screw_neg
|
||||
(output) maximumDipoleHeight_edge
|
||||
(output) maximumDipoleHeight_screw
|
||||
(output) accumulated_shear
|
||||
(output) dislocationstress
|
||||
(output) gamma
|
||||
(output) tau_pass
|
||||
(output) v_edg_pos
|
||||
(output) v_edg_neg
|
||||
(output) v_scr_pos
|
||||
(output) v_scr_neg
|
||||
|
||||
lattice_structure fcc
|
||||
Nslip 12 # number of slip systems
|
||||
|
|
|
|||
|
|
@ -3,31 +3,24 @@
|
|||
elasticity hooke
|
||||
plasticity nonlocal
|
||||
/nonlocal/
|
||||
|
||||
(output) rho
|
||||
(output) rho_sgl_mobile
|
||||
(output) rho_sgl_immobile
|
||||
(output) rho_sgl_edge_pos
|
||||
(output) rho_sgl_edge_neg
|
||||
(output) rho_sgl_screw_pos
|
||||
(output) rho_sgl_screw_neg
|
||||
(output) rho_dip_edge
|
||||
(output) rho_dip_screw
|
||||
(output) rho_sgl_mob_edg_pos
|
||||
(output) rho_sgl_imm_edg_pos
|
||||
(output) rho_sgl_mob_edg_neg
|
||||
(output) rho_sgl_imm_edg_neg
|
||||
(output) rho_sgl_mob_scr_pos
|
||||
(output) rho_sgl_imm_scr_pos
|
||||
(output) rho_sgl_mob_scr_neg
|
||||
(output) rho_sgl_imm_scr_neg
|
||||
(output) rho_dip_edg
|
||||
(output) rho_dip_scr
|
||||
(output) rho_forest
|
||||
(output) accumulatedshear
|
||||
(output) shearrate
|
||||
(output) resolvedstress
|
||||
(output) resistance
|
||||
(output) velocity_edge_pos
|
||||
(output) rho_dot_gen
|
||||
(output) rho_dot_sgl2dip_edge
|
||||
(output) rho_dot_sgl2dip_screw
|
||||
(output) rho_dot_ann_ath
|
||||
(output) rho_dot_ann_the_edge
|
||||
(output) rho_dot_ann_the_screw
|
||||
(output) rho_dot_edgejogs
|
||||
(output) rho_dot_flux_edge
|
||||
(output) rho_dot_flux_screw
|
||||
(output) gamma
|
||||
(output) tau_pass
|
||||
(output) v_edg_pos
|
||||
(output) v_edg_neg
|
||||
(output) v_scr_pos
|
||||
(output) v_scr_neg
|
||||
|
||||
|
||||
lattice_structure fcc
|
||||
Nslip 12 # number of slip systems per family
|
||||
|
|
|
|||
|
|
@ -5,18 +5,6 @@
|
|||
[SX]
|
||||
mech none
|
||||
|
||||
#-------------------#
|
||||
<crystallite>
|
||||
#-------------------#
|
||||
[almostAll]
|
||||
(output) orientation # quaternion
|
||||
(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4)
|
||||
(output) F # deformation gradient tensor
|
||||
(output) Fe # elastic deformation gradient tensor
|
||||
(output) Fp # plastic deformation gradient tensor
|
||||
(output) P # first Piola-Kichhoff stress tensor
|
||||
(output) Lp # plastic velocity gradient tensor
|
||||
|
||||
#-------------------#
|
||||
<phase>
|
||||
#-------------------#
|
||||
|
|
|
|||
|
|
@ -546,15 +546,15 @@ fi
|
|||
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
|
@ -572,20 +572,6 @@ then
|
|||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
fi
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
||||
|
||||
FORTLOWT="$FORTLOW"
|
||||
FORTRANT="$FORTRAN"
|
||||
|
|
|
|||
|
|
@ -546,15 +546,15 @@ fi
|
|||
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
|
@ -572,20 +572,6 @@ then
|
|||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
fi
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
||||
|
||||
FORTLOWT="$FORTLOW"
|
||||
FORTRANT="$FORTRAN"
|
||||
|
|
|
|||
|
|
@ -554,16 +554,16 @@ fi
|
|||
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2019 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2019 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2019 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
||||
|
|
@ -579,19 +579,6 @@ then
|
|||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
fi
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
||||
FORTLOWT="$FORTLOW"
|
||||
FORTRANT="$FORTRAN"
|
||||
|
|
|
|||
|
|
@ -1,66 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,string,scipy
|
||||
import numpy as np
|
||||
import damask
|
||||
from optparse import OptionParser
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
|
||||
Apply filter(s) to Gwyddion data.
|
||||
""" + string.replace(scriptID,'\n','\\n')
|
||||
)
|
||||
|
||||
for option in ['opening',
|
||||
'closing',
|
||||
'erosion',
|
||||
'dilation',
|
||||
'average',
|
||||
'median',
|
||||
]:
|
||||
parser.add_option('-%s'%option[0], '--%s'%option, dest=option, type='int',
|
||||
help = 'stencil size for %s filter'%option)
|
||||
parser.set_default(option, 0)
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
|
||||
# ------------------------------------------ read Gwyddion data ---------------------------------------
|
||||
|
||||
for file in filenames:
|
||||
filters = ''
|
||||
header = []
|
||||
with open(file,'r') as f:
|
||||
for line in f:
|
||||
pieces = line.split()
|
||||
if pieces[0] != '#': break
|
||||
if pieces[1] == 'Width:': width = float(pieces[2])
|
||||
if pieces[1] == 'Height:': height = float(pieces[2])
|
||||
header.append(line.lstrip('#').strip())
|
||||
|
||||
elevation = np.loadtxt(file)#*1e6
|
||||
|
||||
if options.opening > 0:
|
||||
elevation = scipy.ndimage.morphology.grey_opening(elevation,options.opening)
|
||||
filters += '_opening%i'%options.opening
|
||||
if options.closing > 0:
|
||||
elevation = scipy.ndimage.morphology.grey_closing(elevation,options.closing)
|
||||
filters += '_closing%i'%options.closing
|
||||
if options.erosion > 0:
|
||||
elevation = scipy.ndimage.morphology.grey_erosion(elevation,options.erosion)
|
||||
filters += '_erosion%i'%options.erosion
|
||||
if options.dilation > 0:
|
||||
elevation = scipy.ndimage.morphology.grey_dilation(elevation,options.dilation)
|
||||
filters += '_dilation%i'%options.dilation
|
||||
if options.average > 0:
|
||||
elevation = scipy.ndimage.filters.uniform_filter(elevation,options.average)
|
||||
filters += '_avg%i'%options.average
|
||||
if options.median > 0:
|
||||
elevation = scipy.ndimage.filters.median_filter(elevation,options.median)
|
||||
filters += '_median%i'%options.median
|
||||
|
||||
np.savetxt(os.path.splitext(file)[0]+filters+os.path.splitext(file)[1],elevation,header='\n'.join(header))
|
||||
|
||||
|
|
@ -1,98 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,string,vtk
|
||||
import numpy as np
|
||||
import damask
|
||||
from optparse import OptionParser
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
scalingFactor = { \
|
||||
'm': {
|
||||
'm': 1e0,
|
||||
'mm': 1e-3,
|
||||
'µm': 1e-6,
|
||||
},
|
||||
'mm': {
|
||||
'm': 1e+3,
|
||||
'mm': 1e0,
|
||||
'µm': 1e-3,
|
||||
},
|
||||
'µm': {
|
||||
'm': 1e+6,
|
||||
'mm': 1e+3,
|
||||
'µm': 1e0,
|
||||
},
|
||||
}
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
|
||||
Produce VTK rectilinear grid from Gwyddion dataset exported as text.
|
||||
""" + string.replace(scriptID,'\n','\\n')
|
||||
)
|
||||
|
||||
parser.add_option('-s', '--scaling', dest='scaling', type='float',
|
||||
help = 'scaling factor for elevation data [auto]')
|
||||
|
||||
parser.set_defaults(scaling = 0.0)
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
|
||||
# ------------------------------------------ read Gwyddion data ---------------------------------------
|
||||
|
||||
for file in filenames:
|
||||
with open(file,'r') as f:
|
||||
for line in f:
|
||||
pieces = line.split()
|
||||
if pieces[0] != '#': break
|
||||
if len(pieces) < 2: continue
|
||||
if pieces[1] == 'Width:':
|
||||
width = float(pieces[2])
|
||||
lateralunit = pieces[3]
|
||||
if pieces[1] == 'Height:':
|
||||
height = float(pieces[2])
|
||||
lateralunit = pieces[3]
|
||||
if pieces[1] == 'Value' and pieces[2] == 'units:':
|
||||
elevationunit = pieces[3]
|
||||
|
||||
if options.scaling == 0.0:
|
||||
options.scaling = scalingFactor[lateralunit][elevationunit]
|
||||
|
||||
elevation = np.loadtxt(file)*options.scaling
|
||||
|
||||
grid = vtk.vtkRectilinearGrid()
|
||||
grid.SetDimensions(elevation.shape[1],elevation.shape[0],1)
|
||||
|
||||
xCoords = vtk.vtkDoubleArray()
|
||||
for x in np.arange(0.0,width,width/elevation.shape[1],'d'):
|
||||
xCoords.InsertNextValue(x)
|
||||
yCoords = vtk.vtkDoubleArray()
|
||||
for y in np.arange(0.0,height,height/elevation.shape[0],'d'):
|
||||
yCoords.InsertNextValue(y)
|
||||
zCoords = vtk.vtkDoubleArray()
|
||||
zCoords.InsertNextValue(0.0)
|
||||
|
||||
grid.SetXCoordinates(xCoords)
|
||||
grid.SetYCoordinates(yCoords)
|
||||
grid.SetZCoordinates(zCoords)
|
||||
|
||||
vector = vtk.vtkFloatArray()
|
||||
vector.SetName("elevation");
|
||||
vector.SetNumberOfComponents(3);
|
||||
vector.SetNumberOfTuples(np.prod(elevation.shape));
|
||||
for i,z in enumerate(np.ravel(elevation)):
|
||||
vector.SetTuple3(i,0,0,z)
|
||||
|
||||
grid.GetPointData().AddArray(vector)
|
||||
|
||||
writer = vtk.vtkXMLRectilinearGridWriter()
|
||||
writer.SetDataModeToBinary()
|
||||
writer.SetCompressorTypeToZLib()
|
||||
writer.SetFileName(os.path.splitext(file)[0]+'.vtr')
|
||||
if vtk.VTK_MAJOR_VERSION <= 5:
|
||||
writer.SetInput(grid)
|
||||
else:
|
||||
writer.SetInputData(grid)
|
||||
writer.Write()
|
||||
|
|
@ -47,6 +47,8 @@ for filename in options.filenames:
|
|||
|
||||
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 = 5 # hack to keep test intact
|
||||
for i,inc in enumerate(results.iter_visible('increments')):
|
||||
print('Output step {}/{}'.format(i+1,len(results.increments)))
|
||||
|
||||
|
|
@ -59,38 +61,39 @@ for filename in options.filenames:
|
|||
data = np.concatenate((data,coords),1)
|
||||
header+=' 1_pos 2_pos 3_pos'
|
||||
|
||||
results.set_visible('materialpoints',False)
|
||||
results.set_visible('constituents', True)
|
||||
for label in options.con:
|
||||
for p in results.iter_visible('con_physics'):
|
||||
for c in results.iter_visible('constituents'):
|
||||
x = results.get_dataset_location(label)
|
||||
if len(x) == 0:
|
||||
continue
|
||||
array = results.read_dataset(x,0)
|
||||
d = int(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
|
||||
x = results.get_dataset_location(label)
|
||||
if len(x) == 0:
|
||||
continue
|
||||
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('materialpoints',True)
|
||||
for label in options.mat:
|
||||
for p in results.iter_visible('mat_physics'):
|
||||
for m in results.iter_visible('materialpoints'):
|
||||
x = results.get_dataset_location(label)
|
||||
if len(x) == 0:
|
||||
continue
|
||||
array = results.read_dataset(x,0)
|
||||
d = int(np.product(np.shape(array)[1:]))
|
||||
data = np.concatenate((data,np.reshape(array,[np.product(results.grid),d])),1)
|
||||
x = results.get_dataset_location(label)
|
||||
if len(x) == 0:
|
||||
continue
|
||||
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
|
||||
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))
|
||||
if not os.path.isdir(dirname):
|
||||
os.mkdir(dirname,0o755)
|
||||
file_out = '{}_{}.txt'.format(os.path.splitext(os.path.split(filename)[-1])[0],inc)
|
||||
file_out = '{}_inc{}.txt'.format(os.path.splitext(os.path.split(filename)[-1])[0],
|
||||
inc[3:].zfill(N_digits))
|
||||
np.savetxt(os.path.join(dirname,file_out),data,header=header,comments='')
|
||||
|
|
|
|||
|
|
@ -42,7 +42,7 @@ for filename in options.filenames:
|
|||
results = damask.DADF5(filename)
|
||||
|
||||
if results.structured: # for grid solvers use rectilinear grid
|
||||
grid = vtk.vtkRectilineagrid()
|
||||
grid = vtk.vtkRectilinearGrid()
|
||||
coordArray = [vtk.vtkDoubleArray(),
|
||||
vtk.vtkDoubleArray(),
|
||||
vtk.vtkDoubleArray(),
|
||||
|
|
@ -66,7 +66,7 @@ for filename in options.filenames:
|
|||
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 = []
|
||||
|
|
@ -74,7 +74,6 @@ for filename in options.filenames:
|
|||
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'):
|
||||
|
|
@ -98,7 +97,7 @@ for filename in options.filenames:
|
|||
|
||||
results.set_visible('constituents', False)
|
||||
results.set_visible('materialpoints',True)
|
||||
for label in options.mat:
|
||||
for label in options.mat:
|
||||
for p in results.iter_visible('mat_physics'):
|
||||
if p != 'generic':
|
||||
for m in results.iter_visible('materialpoints'):
|
||||
|
|
@ -120,14 +119,22 @@ for filename in options.filenames:
|
|||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
||||
grid.GetCellData().AddArray(vtk_data[-1])
|
||||
|
||||
writer = vtk.vtkXMLRectilineagridWriter() if results.structured else \
|
||||
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 = '{}_{}.{}'.format(os.path.splitext(os.path.split(filename)[-1])[0],inc,writer.GetDefaultFileExtension())
|
||||
file_out = '{}_inc{}.{}'.format(os.path.splitext(os.path.split(filename)[-1])[0],
|
||||
inc[3:].zfill(N_digits),
|
||||
writer.GetDefaultFileExtension())
|
||||
|
||||
writer.SetCompressorTypeToZLib()
|
||||
writer.SetDataModeToBinary()
|
||||
|
|
|
|||
|
|
@ -52,6 +52,7 @@ for filename in options.filenames:
|
|||
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 = []
|
||||
|
|
@ -111,7 +112,9 @@ for filename in options.filenames:
|
|||
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 = '{}_{}.{}'.format(os.path.splitext(os.path.split(filename)[-1])[0],inc,writer.GetDefaultFileExtension())
|
||||
file_out = '{}_inc{}.{}'.format(os.path.splitext(os.path.split(filename)[-1])[0],
|
||||
inc[3:].zfill(N_digits),
|
||||
writer.GetDefaultFileExtension())
|
||||
|
||||
writer.SetCompressorTypeToZLib()
|
||||
writer.SetDataModeToBinary()
|
||||
|
|
|
|||
|
|
@ -49,7 +49,7 @@ Phase_types = {'Primary': 0} #further additions to these can be done by looking
|
|||
# --------------------------------------------------------------------
|
||||
parser = argparse.ArgumentParser(description='Creating a file for DREAM3D from DAMASK data')
|
||||
parser.add_argument('filenames',nargs='+',help='HDF5 based output file')
|
||||
parser.add_argument('--inc',nargs='+',help='Increment for which DREAM3D to be used, eg. 00025',type=int)
|
||||
parser.add_argument('--inc',nargs='+',help='Increment for which DREAM3D to be used, eg. 25',type=int)
|
||||
parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
|
||||
help='name of subdirectory to hold output')
|
||||
|
||||
|
|
@ -59,15 +59,13 @@ options = parser.parse_args()
|
|||
# loop over input files
|
||||
for filename in options.filenames:
|
||||
f = damask.DADF5(filename) #DAMASK output file
|
||||
count = 0
|
||||
for increment in f.increments:
|
||||
if int(increment[3:]) not in options.inc:
|
||||
count = count + 1
|
||||
for increment in options.inc:
|
||||
f.set_by_increment(increment,increment)
|
||||
if len(f.visible['increments']) == 0:
|
||||
continue
|
||||
|
||||
#-------output file creation-------------------------------------
|
||||
dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
|
||||
print(dirname)
|
||||
try:
|
||||
os.mkdir(dirname)
|
||||
except FileExistsError:
|
||||
|
|
@ -90,11 +88,10 @@ for filename in options.filenames:
|
|||
# Phase information of DREAM.3D is constituent ID in DAMASK
|
||||
o[cell_data_label + '/Phases'] = f.get_constituent_ID().reshape(tuple(f.grid)+(1,))
|
||||
# Data quaternions
|
||||
DAMASK_quaternion = f.read_dataset(f.get_dataset_location('orientation'),0)
|
||||
DREAM_3D_quaternion = np.empty((np.prod(f.grid),4),dtype=np.float32)
|
||||
DAMASK_quaternion = f.read_dataset(f.get_dataset_location('orientation'))
|
||||
# Convert: DAMASK uses P = -1, DREAM.3D uses P = +1. Also change position of imagninary part
|
||||
DREAM_3D_quaternion = np.hstack((-DAMASK_quaternion['x'],-DAMASK_quaternion['y'],-DAMASK_quaternion['z'],
|
||||
DAMASK_quaternion['w']))
|
||||
DAMASK_quaternion['w'])).astype(np.float32)
|
||||
o[cell_data_label + '/Quats'] = DREAM_3D_quaternion.reshape(tuple(f.grid)+(4,))
|
||||
|
||||
# Attributes to CellData group
|
||||
|
|
@ -109,12 +106,14 @@ for filename in options.filenames:
|
|||
# phase attributes
|
||||
o[cell_data_label + '/Phases'].attrs['ComponentDimensions'] = np.array([1],np.uint64)
|
||||
o[cell_data_label + '/Phases'].attrs['ObjectType'] = 'DataArray<int32_t>'
|
||||
o[cell_data_label + '/Phases'].attrs['TupleDimensions'] = f.grid.astype(np.uint64)
|
||||
|
||||
# Quats attributes
|
||||
o[cell_data_label + '/Quats'].attrs['ComponentDimensions'] = np.array([4],np.uint64)
|
||||
o[cell_data_label + '/Quats'].attrs['ObjectType'] = 'DataArray<float>'
|
||||
|
||||
# Create EnsembleAttributeMatrix
|
||||
o[cell_data_label + '/Quats'].attrs['TupleDimensions'] = f.grid.astype(np.uint64)
|
||||
|
||||
# Create EnsembleAttributeMatrix
|
||||
ensemble_label = data_container_label + '/EnsembleAttributeMatrix'
|
||||
|
||||
# Data CrystalStructures
|
||||
|
|
|
|||
|
|
@ -2,10 +2,9 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
|
|
@ -36,54 +35,15 @@ parser.set_defaults(defgrad = 'f',
|
|||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
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)
|
||||
table.add('Cauchy',
|
||||
damask.mechanics.Cauchy(table.get(options.defgrad).reshape(-1,3,3),
|
||||
table.get(options.stress ).reshape(-1,3,3)).reshape(-1,9),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.head_read()
|
||||
|
||||
# ------------------------------------------ sanity checks ----------------------------------------
|
||||
|
||||
errors = []
|
||||
column = {}
|
||||
|
||||
for tensor in [options.defgrad,options.stress]:
|
||||
dim = table.label_dimension(tensor)
|
||||
if dim < 0: errors.append('column {} not found.'.format(tensor))
|
||||
elif dim != 9: errors.append('column {} is not a tensor.'.format(tensor))
|
||||
else:
|
||||
column[tensor] = table.label_index(tensor)
|
||||
|
||||
if errors != []:
|
||||
damask.util.croak(errors)
|
||||
table.close(dismiss = True)
|
||||
continue
|
||||
|
||||
# ------------------------------------------ assemble header --------------------------------------
|
||||
|
||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
||||
table.labels_append(['{}_Cauchy'.format(i+1) for i in range(9)]) # extend ASCII header with new labels
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data ------------------------------------------
|
||||
|
||||
outputAlive = True
|
||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||
F = np.array(list(map(float,table.data[column[options.defgrad]:column[options.defgrad]+9])),'d').reshape(3,3)
|
||||
P = np.array(list(map(float,table.data[column[options.stress ]:column[options.stress ]+9])),'d').reshape(3,3)
|
||||
table.data_append(list(1.0/np.linalg.det(F)*np.dot(P,F.T).reshape(9))) # [Cauchy] = (1/det(F)) * [P].[F_transpose]
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close input ASCII table (works for stdin)
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -2,22 +2,16 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
def determinant(m):
|
||||
return +m[0]*m[4]*m[8] \
|
||||
+m[1]*m[5]*m[6] \
|
||||
+m[2]*m[3]*m[7] \
|
||||
-m[2]*m[4]*m[6] \
|
||||
-m[1]*m[3]*m[8] \
|
||||
-m[0]*m[5]*m[7]
|
||||
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
|
|
@ -34,61 +28,18 @@ parser.add_option('-t','--tensor',
|
|||
help = 'heading of columns containing tensor field values')
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if options.tensor is None:
|
||||
parser.error('no data column specified.')
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
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)
|
||||
for tensor in options.tensor:
|
||||
table.add('det({})'.format(tensor),
|
||||
np.linalg.det(table.get(tensor).reshape(-1,3,3)),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.head_read()
|
||||
|
||||
# ------------------------------------------ sanity checks ----------------------------------------
|
||||
|
||||
items = {
|
||||
'tensor': {'dim': 9, 'shape': [3,3], 'labels':options.tensor, '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))
|
||||
table.labels_append('det({})'.format(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 type, data in items.items():
|
||||
for column in data['column']:
|
||||
table.data_append(determinant(list(map(float,table.data[column: column+data['dim']]))))
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close input ASCII table (works for stdin)
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -2,6 +2,7 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import damask
|
||||
|
|
@ -9,17 +10,6 @@ import damask
|
|||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
oneThird = 1.0/3.0
|
||||
|
||||
def deviator(m,spherical = False): # Careful, do not change the value of m, its intent(inout)!
|
||||
sph = oneThird*(m[0]+m[4]+m[8])
|
||||
dev = [
|
||||
m[0]-sph, m[1], m[2],
|
||||
m[3], m[4]-sph, m[5],
|
||||
m[6], m[7], m[8]-sph,
|
||||
]
|
||||
return dev,sph if spherical else dev
|
||||
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
|
|
@ -40,67 +30,22 @@ parser.add_option('-s','--spherical',
|
|||
help = 'report spherical part of tensor (hydrostatic component, pressure)')
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
if options.tensor is None:
|
||||
parser.error('no data column specified...')
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if options.tensor is None:
|
||||
parser.error('no data column specified...')
|
||||
|
||||
for name in filenames:
|
||||
try:
|
||||
table = damask.ASCIItable(name = name, buffered = False)
|
||||
except:
|
||||
continue
|
||||
damask.util.report(scriptName,name)
|
||||
damask.util.report(scriptName,name)
|
||||
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
for tensor in options.tensor:
|
||||
table.add('dev({})'.format(tensor),
|
||||
damask.mechanics.deviatoric_part(table.get(tensor).reshape(-1,3,3)).reshape((-1,9)),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
if options.spherical:
|
||||
table.add('sph({})'.format(tensor),
|
||||
damask.mechanics.spherical_part(table.get(tensor).reshape(-1,3,3)),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
# ------------------------------------------ read header ------------------------------------------
|
||||
|
||||
table.head_read()
|
||||
|
||||
# ------------------------------------------ sanity checks ----------------------------------------
|
||||
|
||||
items = {
|
||||
'tensor': {'dim': 9, 'shape': [3,3], 'labels':options.tensor, 'active':[], 'column': []},
|
||||
}
|
||||
errors = []
|
||||
remarks = []
|
||||
column = {}
|
||||
|
||||
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]['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(['{}_dev({})'.format(i+1,label) for i in range(data['dim'])] + \
|
||||
(['sph({})'.format(label)] if options.spherical else [])) # extend ASCII header with new labels
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data ------------------------------------------
|
||||
|
||||
outputAlive = True
|
||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||
for type, data in items.items():
|
||||
for column in data['column']:
|
||||
table.data_append(deviator(list(map(float,table.data[column:
|
||||
column+data['dim']])),options.spherical))
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close input ASCII table (works for stdin)
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -1,6 +1,8 @@
|
|||
#!/usr/bin/env python3
|
||||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import damask
|
||||
|
|
@ -24,35 +26,16 @@ parser.add_option('-i',
|
|||
dest = 'info', action = 'extend', metavar = '<string LIST>',
|
||||
help = 'items to add')
|
||||
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if options.info is None:
|
||||
parser.error('no info specified.')
|
||||
|
||||
# --- loop over input files ------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
for name in filenames:
|
||||
try: table = damask.ASCIItable(name = name,
|
||||
buffered = False)
|
||||
except: continue
|
||||
damask.util.report(scriptName,name)
|
||||
damask.util.report(scriptName,name)
|
||||
|
||||
# ------------------------------------------ assemble header ---------------------------------------
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
table.comments += options.info
|
||||
|
||||
table.head_read()
|
||||
table.info_append(options.info)
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ pass through data -------------------------------------
|
||||
|
||||
outputAlive = True
|
||||
|
||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close ASCII tables
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -2,10 +2,8 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
from collections import OrderedDict
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
|
@ -13,15 +11,6 @@ import damask
|
|||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
def Mises(what,tensor):
|
||||
|
||||
dev = tensor - np.trace(tensor)/3.0*np.eye(3)
|
||||
symdev = 0.5*(dev+dev.T)
|
||||
return np.sqrt(np.sum(symdev*symdev.T)*
|
||||
{
|
||||
'stress': 3.0/2.0,
|
||||
'strain': 2.0/3.0,
|
||||
}[what.lower()])
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
|
|
@ -47,62 +36,21 @@ parser.set_defaults(strain = [],
|
|||
(options,filenames) = parser.parse_args()
|
||||
|
||||
if options.stress is [] and options.strain is []:
|
||||
parser.error('no data column specified...')
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
parser.error('no data column specified...')
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
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.head_read()
|
||||
|
||||
# ------------------------------------------ sanity checks ----------------------------------------
|
||||
|
||||
items = OrderedDict([
|
||||
('strain', {'dim': 9, 'shape': [3,3], 'labels':options.strain, 'active':[], 'column': []}),
|
||||
('stress', {'dim': 9, 'shape': [3,3], 'labels':options.stress, 'active':[], '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]['active'].append(what)
|
||||
items[type]['column'].append(table.label_index(what))
|
||||
table.labels_append('Mises({})'.format(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 type, data in items.items():
|
||||
for column in data['column']:
|
||||
table.data_append(Mises(type,
|
||||
np.array(table.data[column:column+data['dim']],'d').reshape(data['shape'])))
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close input ASCII table (works for stdin)
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
for strain in options.strain:
|
||||
table.add('Mises({})'.format(strain),
|
||||
damask.mechanics.Mises_strain(damask.mechanics.symmetric(table.get(strain).reshape(-1,3,3))),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
for stress in options.stress:
|
||||
table.add('Mises({})'.format(stress),
|
||||
damask.mechanics.Mises_stress(damask.mechanics.symmetric(table.get(stress).reshape(-1,3,3))),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -2,10 +2,9 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
|
|
@ -36,53 +35,16 @@ parser.set_defaults(defgrad = 'f',
|
|||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
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)
|
||||
|
||||
table.head_read()
|
||||
table.add('S',
|
||||
damask.mechanics.PK2(table.get(options.defgrad).reshape(-1,3,3),
|
||||
table.get(options.stress ).reshape(-1,3,3)).reshape(-1,9),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
# ------------------------------------------ sanity checks ----------------------------------------
|
||||
|
||||
errors = []
|
||||
column = {}
|
||||
|
||||
for tensor in [options.defgrad,options.stress]:
|
||||
dim = table.label_dimension(tensor)
|
||||
if dim < 0: errors.append('column {} not found.'.format(tensor))
|
||||
elif dim != 9: errors.append('column {} is not a tensor.'.format(tensor))
|
||||
else:
|
||||
column[tensor] = table.label_index(tensor)
|
||||
|
||||
if errors != []:
|
||||
damask.util.croak(errors)
|
||||
table.close(dismiss = True)
|
||||
continue
|
||||
|
||||
# ------------------------------------------ assemble header --------------------------------------
|
||||
|
||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
||||
table.labels_append(['{}_S'.format(i+1) for i in range(9)]) # extend ASCII header with new labels
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data ------------------------------------------
|
||||
outputAlive = True
|
||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||
F = np.array(list(map(float,table.data[column[options.defgrad]:column[options.defgrad]+9])),'d').reshape(3,3)
|
||||
P = np.array(list(map(float,table.data[column[options.stress ]:column[options.stress ]+9])),'d').reshape(3,3)
|
||||
table.data_append(list(np.dot(np.linalg.inv(F),P).reshape(9))) # [S] =[P].[F-1]
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close input ASCII table (works for stdin)
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -1,150 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os
|
||||
import sys
|
||||
from optparse import OptionParser
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
# -----------------------------
|
||||
def outMentat(cmd,locals):
|
||||
if cmd[0:3] == '(!)':
|
||||
exec(cmd[3:])
|
||||
elif cmd[0:3] == '(?)':
|
||||
cmd = eval(cmd[3:])
|
||||
py_mentat.py_send(cmd)
|
||||
else:
|
||||
py_mentat.py_send(cmd)
|
||||
return
|
||||
|
||||
|
||||
|
||||
# -----------------------------
|
||||
def outStdout(cmd,locals):
|
||||
if cmd[0:3] == '(!)':
|
||||
exec(cmd[3:])
|
||||
elif cmd[0:3] == '(?)':
|
||||
cmd = eval(cmd[3:])
|
||||
print(cmd)
|
||||
else:
|
||||
print(cmd)
|
||||
return
|
||||
|
||||
|
||||
|
||||
# -----------------------------
|
||||
def output(cmds,locals,dest):
|
||||
for cmd in cmds:
|
||||
if isinstance(cmd,list):
|
||||
output(cmd,locals,dest)
|
||||
else:
|
||||
{\
|
||||
'Mentat': outMentat,\
|
||||
'Stdout': outStdout,\
|
||||
}[dest](cmd,locals)
|
||||
return
|
||||
|
||||
|
||||
|
||||
# -----------------------------
|
||||
def colorMap(colors,baseIdx=32):
|
||||
cmds = [ "*color %i %f %f %f"%(idx+baseIdx,color[0],color[1],color[2])
|
||||
for idx,color in enumerate(colors) ]
|
||||
return cmds
|
||||
|
||||
|
||||
# -----------------------------
|
||||
# MAIN FUNCTION STARTS HERE
|
||||
# -----------------------------
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
usage="%prog [options] predefinedScheme | (lower_h,s,l upper_h,s,l)", description = """
|
||||
Changes the color map in MSC.Mentat.
|
||||
|
||||
Interpolates colors between "lower_hsl" and "upper_hsl".
|
||||
|
||||
""", version = scriptID)
|
||||
|
||||
parser.add_option("-i","--inverse", action = "store_true",
|
||||
dest = "inverse",
|
||||
help = "invert legend")
|
||||
parser.add_option( "--palette", action = "store_true",
|
||||
dest = "palette",
|
||||
help = "output plain rgb palette integer values (0-255)")
|
||||
parser.add_option( "--palettef", action = "store_true",
|
||||
dest = "palettef",
|
||||
help = "output plain rgb palette float values (0.0-1.0)")
|
||||
parser.add_option("-p", "--port", type = "int",
|
||||
dest = "port",
|
||||
metavar ='int',
|
||||
help = "Mentat connection port [%default]")
|
||||
parser.add_option("-b", "--baseindex", type = "int",
|
||||
metavar ='int',
|
||||
dest = "baseIdx",
|
||||
help = "base index of colormap [%default]")
|
||||
parser.add_option("-n", "--colorcount", type = "int",
|
||||
metavar ='int',
|
||||
dest = "colorcount",
|
||||
help = "number of colors [%default]")
|
||||
parser.add_option("-v", "--verbose", action="store_true",
|
||||
dest = "verbose",
|
||||
help = "write Mentat command stream also to STDOUT")
|
||||
|
||||
parser.set_defaults(port = 40007)
|
||||
parser.set_defaults(baseIdx = 32)
|
||||
parser.set_defaults(colorcount = 32)
|
||||
parser.set_defaults(inverse = False)
|
||||
parser.set_defaults(palette = False)
|
||||
parser.set_defaults(palettef = False)
|
||||
parser.set_defaults(verbose = False)
|
||||
|
||||
msg = []
|
||||
|
||||
(options, colors) = parser.parse_args()
|
||||
|
||||
if len(colors) == 0:
|
||||
parser.error('missing color information')
|
||||
|
||||
elif len(colors) == 1:
|
||||
theMap = damask.Colormap(predefined = colors[0])
|
||||
|
||||
elif len(colors) == 2:
|
||||
theMap = damask.Colormap(damask.Color('HSL',map(float, colors[0].split(','))),
|
||||
damask.Color('HSL',map(float, colors[1].split(','))) )
|
||||
|
||||
else:
|
||||
theMap = damask.Colormap()
|
||||
|
||||
if options.inverse:
|
||||
theMap = theMap.invert()
|
||||
|
||||
if options.palettef:
|
||||
print(theMap.export(format='raw',steps=options.colorcount))
|
||||
elif options.palette:
|
||||
for theColor in theMap.export(format='list',steps=options.colorcount):
|
||||
print('\t'.join(map(lambda x: str(int(255*x)),theColor)))
|
||||
else: # connect to Mentat and change colorMap
|
||||
sys.path.append(damask.solver.Marc().libraryPath())
|
||||
try:
|
||||
import py_mentat
|
||||
print('waiting to connect...')
|
||||
py_mentat.py_connect('',options.port)
|
||||
print('connected...')
|
||||
mentat = True
|
||||
except:
|
||||
sys.stderr.write('warning: no valid Mentat release found\n')
|
||||
mentat = False
|
||||
|
||||
outputLocals = {}
|
||||
cmds = colorMap(theMap.export(format='list',steps=options.colorcount),options.baseIdx)
|
||||
if mentat:
|
||||
output(['*show_table']+cmds+['*show_model *redraw'],outputLocals,'Mentat')
|
||||
py_mentat.py_disconnect()
|
||||
|
||||
if options.verbose:
|
||||
output(cmds,outputLocals,'Stdout')
|
||||
|
|
@ -2,8 +2,8 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
import re
|
||||
|
||||
import damask
|
||||
|
||||
|
|
@ -35,62 +35,18 @@ parser.set_defaults(label = [],
|
|||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
pattern = [re.compile('^()(.+)$'), # label pattern for scalar
|
||||
re.compile('^(\d+_)?(.+)$'), # label pattern for multidimension
|
||||
]
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if len(options.label) != len(options.substitute):
|
||||
parser.error('number of column labels and substitutes do not match.')
|
||||
|
||||
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)
|
||||
for i,label in enumerate(options.label):
|
||||
table.rename(label,
|
||||
options.substitute[i],
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.head_read()
|
||||
|
||||
# ------------------------------------------ process labels ---------------------------------------
|
||||
|
||||
errors = []
|
||||
remarks = []
|
||||
|
||||
if len(options.label) == 0:
|
||||
errors.append('no labels specified.')
|
||||
elif len(options.label) != len(options.substitute):
|
||||
errors.append('mismatch between number of labels ({}) and substitutes ({}).'.format(len(options.label),
|
||||
len(options.substitute)))
|
||||
else:
|
||||
indices = table.label_index (options.label)
|
||||
dimensions = table.label_dimension(options.label)
|
||||
for i,index in enumerate(indices):
|
||||
if index == -1: remarks.append('label "{}" not present...'.format(options.label[i]))
|
||||
else:
|
||||
m = pattern[int(dimensions[i]>1)].match(table.tags[index]) # isolate label name
|
||||
for j in range(dimensions[i]):
|
||||
table.tags[index+j] = table.tags[index+j].replace(m.group(2),options.substitute[i]) # replace name with substitute
|
||||
|
||||
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
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close ASCII tables
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -2,10 +2,9 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
|
|
@ -23,7 +22,7 @@ Uniformly scale column values by given factor.
|
|||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-l','--label',
|
||||
dest = 'label',
|
||||
dest = 'labels',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help ='column(s) to scale')
|
||||
parser.add_option('-f','--factor',
|
||||
|
|
@ -32,61 +31,21 @@ parser.add_option('-f','--factor',
|
|||
help = 'factor(s) per column')
|
||||
|
||||
parser.set_defaults(label = [],
|
||||
)
|
||||
factor = [])
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
if len(options.label) != len(options.factor):
|
||||
parser.error('number of column labels and factors do not match.')
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if len(options.labels) != len(options.factor):
|
||||
parser.error('number of column labels and factors do not match.')
|
||||
|
||||
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)
|
||||
for i,label in enumerate(options.labels):
|
||||
table.set(label,
|
||||
table.get(label)*float(options.factor[i]),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.head_read()
|
||||
|
||||
errors = []
|
||||
remarks = []
|
||||
columns = []
|
||||
dims = []
|
||||
factors = []
|
||||
|
||||
for what,factor in zip(options.label,options.factor):
|
||||
col = table.label_index(what)
|
||||
if col < 0: remarks.append('column {} not found...'.format(what,type))
|
||||
else:
|
||||
columns.append(col)
|
||||
factors.append(float(factor))
|
||||
dims.append(table.label_dimension(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:]))
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data ------------------------------------------
|
||||
|
||||
outputAlive = True
|
||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||
for col,dim,factor in zip(columns,dims,factors): # loop over items
|
||||
table.data[col:col+dim] = factor * np.array(table.data[col:col+dim],'d')
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close ASCII tables
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -2,10 +2,9 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
|
|
@ -23,7 +22,7 @@ Uniformly shift column values by given offset.
|
|||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-l','--label',
|
||||
dest = 'label',
|
||||
dest = 'labels',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help ='column(s) to shift')
|
||||
parser.add_option('-o','--offset',
|
||||
|
|
@ -32,61 +31,21 @@ parser.add_option('-o','--offset',
|
|||
help = 'offset(s) per column')
|
||||
|
||||
parser.set_defaults(label = [],
|
||||
)
|
||||
offset = [])
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
if len(options.label) != len(options.offset):
|
||||
parser.error('number of column labels and offsets do not match.')
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if len(options.labels) != len(options.offset):
|
||||
parser.error('number of column labels and offsets do not match.')
|
||||
|
||||
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)
|
||||
for i,label in enumerate(options.labels):
|
||||
table.set(label,
|
||||
table.get(label)+float(options.offset[i]),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.head_read()
|
||||
|
||||
errors = []
|
||||
remarks = []
|
||||
columns = []
|
||||
dims = []
|
||||
offsets = []
|
||||
|
||||
for what,offset in zip(options.label,options.offset):
|
||||
col = table.label_index(what)
|
||||
if col < 0: remarks.append('column {} not found...'.format(what,type))
|
||||
else:
|
||||
columns.append(col)
|
||||
offsets.append(float(offset))
|
||||
dims.append(table.label_dimension(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:]))
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data ------------------------------------------
|
||||
|
||||
outputAlive = True
|
||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||
for col,dim,offset in zip(columns,dims,offsets): # loop over items
|
||||
table.data[col:col+dim] = offset + np.array(table.data[col:col+dim],'d')
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close ASCII tables
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -2,10 +2,9 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
|
|
@ -26,7 +25,7 @@ With coordinates in columns "x", "y", and "z"; sorting with x slowest and z fast
|
|||
|
||||
|
||||
parser.add_option('-l','--label',
|
||||
dest = 'keys',
|
||||
dest = 'labels',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'list of column labels (a,b,c,...)')
|
||||
parser.add_option('-r','--reverse',
|
||||
|
|
@ -38,42 +37,14 @@ parser.set_defaults(reverse = False,
|
|||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if options.labels is None:
|
||||
parser.error('no labels specified.')
|
||||
for name in filenames:
|
||||
try: table = damask.ASCIItable(name = name,
|
||||
buffered = False)
|
||||
except: continue
|
||||
damask.util.report(scriptName,name)
|
||||
damask.util.report(scriptName,name)
|
||||
|
||||
# ------------------------------------------ assemble header ---------------------------------------
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
table.sort_by(options.labels,not options.reverse)
|
||||
|
||||
table.head_read()
|
||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data ---------------------------------------
|
||||
|
||||
table.data_readArray()
|
||||
|
||||
keys = table.labels(raw = True)[::-1] if options.keys is None else options.keys[::-1] # numpy sorts with most significant column as last
|
||||
|
||||
cols = []
|
||||
remarks = []
|
||||
for i,column in enumerate(table.label_index(keys)):
|
||||
if column < 0: remarks.append('label "{}" not present...'.format(keys[i]))
|
||||
else: cols += [table.data[:,column]]
|
||||
if remarks != []: damask.util.croak(remarks)
|
||||
|
||||
ind = np.lexsort(cols) if cols != [] else np.arange(table.data.shape[0])
|
||||
if options.reverse: ind = ind[::-1]
|
||||
|
||||
# ------------------------------------------ output result ---------------------------------------
|
||||
|
||||
table.data = table.data[ind]
|
||||
table.data_writeArray()
|
||||
table.close() # close ASCII table
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
|||
|
|
@ -1,167 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import sys,os,re
|
||||
from optparse import OptionParser
|
||||
import damask
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
# -----------------------------
|
||||
def ParseOutputFormat(filename,what,me):
|
||||
format = {'outputs':{},'specials':{'brothers':[]}}
|
||||
|
||||
outputmetafile = filename+'.output'+what
|
||||
try:
|
||||
myFile = open(outputmetafile)
|
||||
except:
|
||||
print('Could not open file %s'%outputmetafile)
|
||||
raise
|
||||
else:
|
||||
content = myFile.readlines()
|
||||
myFile.close()
|
||||
|
||||
tag = ''
|
||||
tagID = 0
|
||||
for line in content:
|
||||
if re.match("\s*$",line) or re.match("#",line): # skip blank lines and comments
|
||||
continue
|
||||
m = re.match("\[(.+)\]",line) # look for block indicator
|
||||
if m: # next section
|
||||
tag = m.group(1)
|
||||
tagID += 1
|
||||
format['specials']['brothers'].append(tag)
|
||||
if tag == me or (me.isdigit() and tagID == int(me)):
|
||||
format['specials']['_id'] = tagID
|
||||
format['outputs'] = []
|
||||
tag = me
|
||||
else: # data from section
|
||||
if tag == me:
|
||||
(output,length) = line.split()
|
||||
output.lower()
|
||||
if length.isdigit():
|
||||
length = int(length)
|
||||
if re.match("\((.+)\)",output): # special data, (e.g. (Ngrains)
|
||||
format['specials'][output] = length
|
||||
elif length > 0:
|
||||
format['outputs'].append([output,length])
|
||||
return format
|
||||
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog [option(s)] Abaqus.Inputfile(s)', description = """
|
||||
Transfer the output variables requested in the material.config to
|
||||
properly labelled user-defined variables within the Abaqus input file (*.inp).
|
||||
|
||||
Requires the files
|
||||
<modelname_jobname>.output<Homogenization/Crystallite/Constitutive>
|
||||
that are written during the first run of the model.
|
||||
|
||||
Specify which user block format you want to apply by stating the homogenization, crystallite, and phase identifiers.
|
||||
Or have an existing set of user variables copied over from another *.inp file.
|
||||
|
||||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-m', dest='number', type='int', metavar = 'int',
|
||||
help='maximum requested User Defined Variable [%default]')
|
||||
parser.add_option('--homogenization', dest='homog', metavar = 'string',
|
||||
help='homogenization name or index [%default]')
|
||||
parser.add_option('--crystallite', dest='cryst', metavar = 'string',
|
||||
help='crystallite identifier name or index [%default]')
|
||||
parser.add_option('--phase', dest='phase', metavar = 'string',
|
||||
help='phase identifier name or index [%default]')
|
||||
parser.add_option('--use', dest='useFile', metavar = 'string',
|
||||
help='optionally parse output descriptors from '+
|
||||
'outputXXX files of given name')
|
||||
parser.add_option('--option', dest='damaskOption', metavar = 'string',
|
||||
help='Add DAMASK option to input file, e.g. "periodic x z"')
|
||||
|
||||
parser.set_defaults(number = 0,
|
||||
homog = '1',
|
||||
cryst = '1',
|
||||
phase = '1')
|
||||
|
||||
(options, files) = parser.parse_args()
|
||||
|
||||
if not files:
|
||||
parser.error('no file(s) specified.')
|
||||
|
||||
me = { 'Homogenization': options.homog,
|
||||
'Crystallite': options.cryst,
|
||||
'Constitutive': options.phase,
|
||||
}
|
||||
|
||||
|
||||
for myFile in files:
|
||||
damask.util.report(scriptName,myFile)
|
||||
if options.useFile is not None:
|
||||
formatFile = os.path.splitext(options.useFile)[0]
|
||||
else:
|
||||
formatFile = os.path.splitext(myFile)[0]
|
||||
myFile = os.path.splitext(myFile)[0]+'.inp'
|
||||
if not os.path.lexists(myFile):
|
||||
print('{} not found'.format(myFile))
|
||||
continue
|
||||
|
||||
print('Scanning format files of: {}'.format(formatFile))
|
||||
|
||||
if options.number < 1:
|
||||
outputFormat = {}
|
||||
|
||||
for what in me:
|
||||
outputFormat[what] = ParseOutputFormat(formatFile,what,me[what])
|
||||
if '_id' not in outputFormat[what]['specials']:
|
||||
print("'{}' not found in <{}>".format(me[what],what))
|
||||
print('\n'.join(map(lambda x:' '+x,outputFormat[what]['specials']['brothers'])))
|
||||
sys.exit(1)
|
||||
|
||||
UserVars = ['HomogenizationCount']
|
||||
for var in outputFormat['Homogenization']['outputs']:
|
||||
if var[1] > 1:
|
||||
UserVars += ['%i_%s'%(i+1,var[0]) for i in range(var[1])]
|
||||
else:
|
||||
UserVars += ['%s'%(var[0]) for i in range(var[1])]
|
||||
|
||||
UserVars += ['GrainCount']
|
||||
|
||||
for grain in range(outputFormat['Homogenization']['specials']['(ngrains)']):
|
||||
UserVars += ['%i_CrystalliteCount'%(grain+1)]
|
||||
for var in outputFormat['Crystallite']['outputs']:
|
||||
if var[1] > 1:
|
||||
UserVars += ['%i_%i_%s'%(grain+1,i+1,var[0]) for i in range(var[1])]
|
||||
else:
|
||||
UserVars += ['%i_%s'%(grain+1,var[0]) for i in range(var[1])]
|
||||
|
||||
UserVars += ['%i_ConstitutiveCount'%(grain+1)]
|
||||
for var in outputFormat['Constitutive']['outputs']:
|
||||
if var[1] > 1:
|
||||
UserVars += ['%i_%i_%s'%(grain+1,i+1,var[0]) for i in range(var[1])]
|
||||
else:
|
||||
UserVars += ['%i_%s'%(grain+1,var[0]) for i in range(var[1])]
|
||||
|
||||
# Now change *.inp file(s)
|
||||
print('Adding labels to: {}'.format(myFile))
|
||||
inFile = open(myFile)
|
||||
input = inFile.readlines()
|
||||
inFile.close()
|
||||
output = open(myFile,'w')
|
||||
thisSection = ''
|
||||
if options.damaskOption is not None:
|
||||
output.write('$damask {0}\n'.format(options.damaskOption))
|
||||
for line in input:
|
||||
#Abaqus keyword line begins with: *keyword, argument1, ...
|
||||
m = re.match('([*]\w+)\s',line)
|
||||
if m:
|
||||
lastSection = thisSection
|
||||
thisSection = m.group(1)
|
||||
if (lastSection.upper() == '*DEPVAR' and thisSection.upper() == '*USER'): # Abaqus keyword can be upper or lower case
|
||||
if options.number > 0:
|
||||
output.write('{}\n'.format(options.number)) # Abaqus needs total number of SDVs in the line after *Depvar keyword
|
||||
else:
|
||||
output.write('{}\n'.format(len(UserVars)))
|
||||
|
||||
for i in range(len(UserVars)):
|
||||
output.write('%i,"%i%s","%i%s"\n'%(i+1,0,UserVars[i],0,UserVars[i])) #index,output variable key,output variable description
|
||||
if (thisSection.upper() != '*DEPVAR' or not re.match('\s*\d',line)):
|
||||
output.write(line)
|
||||
output.close()
|
||||
|
|
@ -132,7 +132,4 @@ for name in filenames:
|
|||
damask.util.croak(geom.update(np.where(mask,geom.microstructure,fill)))
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -61,7 +61,7 @@ for name in filenames:
|
|||
canvas = np.full(new,options.fill if options.fill is not None
|
||||
else np.nanmax(geom.microstructure)+1,geom.microstructure.dtype)
|
||||
|
||||
l = np.clip( offset, 0,np.minimum(old +offset,new))
|
||||
l = np.clip( offset, 0,np.minimum(old +offset,new)) # noqa
|
||||
r = np.clip( offset+old,0,np.minimum(old*2+offset,new))
|
||||
L = np.clip(-offset, 0,np.minimum(new -offset,old))
|
||||
R = np.clip(-offset+new,0,np.minimum(new*2-offset,old))
|
||||
|
|
@ -71,7 +71,4 @@ for name in filenames:
|
|||
damask.util.croak(geom.update(canvas,origin=origin+offset*size/old,rescale=True))
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -5,9 +5,6 @@ import sys
|
|||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
from scipy import ndimage
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
|
|
@ -15,11 +12,6 @@ scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
|||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
|
||||
def mostFrequent(arr):
|
||||
unique, inverse = np.unique(arr, return_inverse=True)
|
||||
return unique[np.argmax(np.bincount(inverse))]
|
||||
|
||||
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
# MAIN
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -45,13 +37,6 @@ for name in filenames:
|
|||
damask.util.report(scriptName,name)
|
||||
|
||||
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
|
||||
damask.util.croak(geom.update(ndimage.filters.generic_filter(
|
||||
geom.microstructure,mostFrequent,
|
||||
size=(options.stencil,)*3).astype(geom.microstructure.dtype)))
|
||||
damask.util.croak(geom.clean(options.stencil))
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -86,7 +86,7 @@ for name in filenames:
|
|||
* inFile[os.path.join(group_geom,'SPACING')][...]
|
||||
grid = inFile[os.path.join(group_geom,'DIMENSIONS')][...]
|
||||
origin = inFile[os.path.join(group_geom,'ORIGIN')][...]
|
||||
except:
|
||||
except KeyError:
|
||||
errors.append('Geometry data ({}) not found'.format(group_geom))
|
||||
|
||||
|
||||
|
|
@ -98,13 +98,13 @@ for name in filenames:
|
|||
try:
|
||||
quats = np.reshape(inFile[dataset][...],(np.product(grid),4))
|
||||
rot = [damask.Rotation.fromQuaternion(q,True,P=+1) for q in quats]
|
||||
except:
|
||||
except KeyError:
|
||||
errors.append('Pointwise orientation (quaternion) data ({}) not readable'.format(dataset))
|
||||
|
||||
dataset = os.path.join(group_pointwise,options.phase)
|
||||
try:
|
||||
phase = np.reshape(inFile[dataset][...],(np.product(grid)))
|
||||
except:
|
||||
except KeyError:
|
||||
errors.append('Pointwise phase data ({}) not readable'.format(dataset))
|
||||
|
||||
microstructure = np.arange(1,np.product(grid)+1,dtype=int).reshape(grid,order='F')
|
||||
|
|
@ -116,7 +116,7 @@ for name in filenames:
|
|||
dataset = os.path.join(group_pointwise,options.microstructure)
|
||||
try:
|
||||
microstructure = np.transpose(inFile[dataset][...].reshape(grid[::-1]),(2,1,0)) # convert from C ordering
|
||||
except:
|
||||
except KeyError:
|
||||
errors.append('Link between pointwise and grain average data ({}) not readable'.format(dataset))
|
||||
|
||||
group_average = os.path.join(rootDir,options.basegroup,options.average)
|
||||
|
|
@ -124,13 +124,13 @@ for name in filenames:
|
|||
dataset = os.path.join(group_average,options.quaternion)
|
||||
try:
|
||||
rot = [damask.Rotation.fromQuaternion(q,True,P=+1) for q in inFile[dataset][...][1:]] # skip first entry (unindexed)
|
||||
except:
|
||||
except KeyError:
|
||||
errors.append('Average orientation data ({}) not readable'.format(dataset))
|
||||
|
||||
dataset = os.path.join(group_average,options.phase)
|
||||
try:
|
||||
phase = [i[0] for i in inFile[dataset][...]][1:] # skip first entry (unindexed)
|
||||
except:
|
||||
except KeyError:
|
||||
errors.append('Average phase data ({}) not readable'.format(dataset))
|
||||
|
||||
if errors != []:
|
||||
|
|
@ -155,4 +155,4 @@ for name in filenames:
|
|||
homogenization=options.homogenization,comments=header)
|
||||
damask.util.croak(geom)
|
||||
|
||||
geom.to_file(os.path.splitext(name)[0]+'.geom')
|
||||
geom.to_file(os.path.splitext(name)[0]+'.geom',pack=False)
|
||||
|
|
|
|||
|
|
@ -89,7 +89,4 @@ geom=damask.Geom(microstructure,options.size,
|
|||
comments=[scriptID + ' ' + ' '.join(sys.argv[1:])])
|
||||
damask.util.croak(geom)
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -145,7 +145,4 @@ geom = damask.Geom(microstructure.reshape(grid),
|
|||
homogenization=options.homogenization,comments=header)
|
||||
damask.util.croak(geom)
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -63,7 +63,4 @@ geom = damask.Geom(microstructure=np.full(options.grid,options.fill,dtype=dtype)
|
|||
comments=scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
damask.util.croak(geom)
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -152,7 +152,4 @@ for name in filenames:
|
|||
homogenization=options.homogenization,comments=header)
|
||||
damask.util.croak(geom)
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(os.path.splitext(name)[0]+'.geom')
|
||||
geom.to_file(sys.stdout if name is None else os.path.splitext(name)[0]+'.geom',pack=False)
|
||||
|
|
|
|||
|
|
@ -302,7 +302,4 @@ for name in filenames:
|
|||
homogenization=options.homogenization,comments=header)
|
||||
damask.util.croak(geom)
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(os.path.splitext(name)[0]+'.geom')
|
||||
geom.to_file(sys.stdout if name is None else os.path.splitext(name)[0]+'.geom',pack=False)
|
||||
|
|
|
|||
|
|
@ -172,7 +172,4 @@ for name in filenames:
|
|||
damask.util.croak(geom.update(microstructure[0:grid_original[0],0:grid_original[1],0:grid_original[2]]))
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -5,8 +5,6 @@ import sys
|
|||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
|
|
@ -38,35 +36,12 @@ parser.set_defaults(reflect = False)
|
|||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
if options.directions is None:
|
||||
parser.error('no direction given.')
|
||||
|
||||
if not set(options.directions).issubset(validDirections):
|
||||
invalidDirections = [str(e) for e in set(options.directions).difference(validDirections)]
|
||||
parser.error('invalid directions {}. '.format(*invalidDirections))
|
||||
|
||||
limits = [None,None] if options.reflect else [-2,0]
|
||||
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
for name in filenames:
|
||||
damask.util.report(scriptName,name)
|
||||
|
||||
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
|
||||
microstructure = geom.get_microstructure()
|
||||
if 'z' in options.directions:
|
||||
microstructure = np.concatenate([microstructure,microstructure[:,:,limits[0]:limits[1]:-1]],2)
|
||||
if 'y' in options.directions:
|
||||
microstructure = np.concatenate([microstructure,microstructure[:,limits[0]:limits[1]:-1,:]],1)
|
||||
if 'x' in options.directions:
|
||||
microstructure = np.concatenate([microstructure,microstructure[limits[0]:limits[1]:-1,:,:]],0)
|
||||
|
||||
damask.util.croak(geom.update(microstructure,rescale=True))
|
||||
damask.util.croak(geom.mirror(options.directions,options.reflect))
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -33,42 +33,5 @@ for name in filenames:
|
|||
|
||||
damask.util.croak(geom)
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
compressType = None
|
||||
former = start = -1
|
||||
reps = 0
|
||||
|
||||
if name is None:
|
||||
f = sys.stdout
|
||||
else:
|
||||
f= open(name,'w')
|
||||
|
||||
for current in geom.microstructure.flatten('F'):
|
||||
if abs(current - former) == 1 and (start - current) == reps*(former - current):
|
||||
compressType = 'to'
|
||||
reps += 1
|
||||
elif current == former and start == former:
|
||||
compressType = 'of'
|
||||
reps += 1
|
||||
else:
|
||||
if compressType is None:
|
||||
f.write('\n'.join(geom.get_header())+'\n')
|
||||
elif compressType == '.':
|
||||
f.write('{}\n'.format(former))
|
||||
elif compressType == 'to':
|
||||
f.write('{} to {}\n'.format(start,former))
|
||||
elif compressType == 'of':
|
||||
f.write('{} of {}\n'.format(reps,former))
|
||||
|
||||
compressType = '.'
|
||||
start = current
|
||||
reps = 1
|
||||
|
||||
former = current
|
||||
|
||||
if compressType == '.':
|
||||
f.write('{}\n'.format(former))
|
||||
elif compressType == 'to':
|
||||
f.write('{} to {}\n'.format(start,former))
|
||||
elif compressType == 'of':
|
||||
f.write('{} of {}\n'.format(reps,former))
|
||||
|
||||
geom.to_file(sys.stdout if name is None else name,pack=True)
|
||||
|
|
|
|||
|
|
@ -5,8 +5,6 @@ import sys
|
|||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
|
|
@ -32,15 +30,6 @@ for name in filenames:
|
|||
damask.util.report(scriptName,name)
|
||||
|
||||
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
|
||||
renumbered = np.empty(geom.get_grid(),dtype=geom.microstructure.dtype)
|
||||
for i, oldID in enumerate(np.unique(geom.microstructure)):
|
||||
renumbered = np.where(geom.microstructure == oldID, i+1, renumbered)
|
||||
|
||||
damask.util.croak(geom.update(renumbered))
|
||||
damask.util.croak(geom.renumber())
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -2,11 +2,10 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
import numpy as np
|
||||
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
from scipy import ndimage
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
|
@ -55,20 +54,7 @@ for name in filenames:
|
|||
np.array([o*float(n.lower().replace('x','')) if n.lower().endswith('x') \
|
||||
else float(n) for o,n in zip(size,options.size)],dtype=float)
|
||||
|
||||
damask.util.croak(geom.update(microstructure =
|
||||
ndimage.interpolation.zoom(
|
||||
geom.microstructure,
|
||||
new_grid/grid,
|
||||
output=geom.microstructure.dtype,
|
||||
order=0,
|
||||
mode='nearest',
|
||||
prefilter=False,
|
||||
) if np.any(new_grid != grid) \
|
||||
else None,
|
||||
size = new_size))
|
||||
geom.scale(new_grid)
|
||||
damask.util.croak(geom.update(microstructure = None,size = new_size))
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -95,7 +95,4 @@ for name in filenames:
|
|||
damask.util.croak(geom.update(microstructure,origin=origin-(np.asarray(microstructure.shape)-grid)/2*size/grid,rescale=True))
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -58,7 +58,4 @@ for name in filenames:
|
|||
damask.util.croak(geom.update(substituted,origin=geom.get_origin()+options.origin))
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -34,7 +34,4 @@ for name in filenames:
|
|||
damask.util.croak(geom)
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -82,7 +82,4 @@ for name in filenames:
|
|||
geom.microstructure + offset,geom.microstructure)))
|
||||
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
|
||||
|
||||
if name is None:
|
||||
sys.stdout.write(str(geom.show()))
|
||||
else:
|
||||
geom.to_file(name)
|
||||
geom.to_file(sys.stdout if name is None else name,pack=False)
|
||||
|
|
|
|||
|
|
@ -1,164 +0,0 @@
|
|||
#!/usr/bin/env python3
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import sys,os,re
|
||||
from optparse import OptionParser
|
||||
import damask
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
# -----------------------------
|
||||
def ParseOutputFormat(filename,what,me):
|
||||
format = {'outputs':{},'specials':{'brothers':[]}}
|
||||
|
||||
outputmetafile = filename+'.output'+what
|
||||
try:
|
||||
myFile = open(outputmetafile)
|
||||
except:
|
||||
print('Could not open file %s'%outputmetafile)
|
||||
raise
|
||||
else:
|
||||
content = myFile.readlines()
|
||||
myFile.close()
|
||||
|
||||
tag = ''
|
||||
tagID = 0
|
||||
for line in content:
|
||||
if re.match("\s*$",line) or re.match("#",line): # skip blank lines and comments
|
||||
continue
|
||||
m = re.match("\[(.+)\]",line) # look for block indicator
|
||||
if m: # next section
|
||||
tag = m.group(1)
|
||||
tagID += 1
|
||||
format['specials']['brothers'].append(tag)
|
||||
if tag == me or (me.isdigit() and tagID == int(me)):
|
||||
format['specials']['_id'] = tagID
|
||||
format['outputs'] = []
|
||||
tag = me
|
||||
else: # data from section
|
||||
if tag == me:
|
||||
(output,length) = line.split()
|
||||
output.lower()
|
||||
if length.isdigit():
|
||||
length = int(length)
|
||||
if re.match("\((.+)\)",output): # special data, (e.g. (Ngrains)
|
||||
format['specials'][output] = length
|
||||
elif length > 0:
|
||||
format['outputs'].append([output,length])
|
||||
return format
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog [option(s)] Marc.Inputfile(s)', description = """
|
||||
Transfer the output variables requested in the material.config to
|
||||
properly labelled user-defined variables within the Marc input file (*.dat).
|
||||
|
||||
Requires the files
|
||||
<modelname_jobname>.output<Homogenization/Crystallite/Constitutive>
|
||||
that are written during the first run of the model.
|
||||
|
||||
Specify which user block format you want to apply by stating the homogenization, crystallite, and phase identifiers.
|
||||
Or have an existing set of user variables copied over from another *.dat file.
|
||||
|
||||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-m', dest='number', type='int', metavar = 'int',
|
||||
help='maximum requested User Defined Variable [%default]')
|
||||
parser.add_option('--homogenization', dest='homog', metavar = 'string',
|
||||
help='homogenization name or index [%default]')
|
||||
parser.add_option('--crystallite', dest='cryst', metavar = 'string',
|
||||
help='crystallite identifier name or index [%default]')
|
||||
parser.add_option('--phase', dest='phase', metavar = 'string',
|
||||
help='phase identifier name or index [%default]')
|
||||
parser.add_option('--use', dest='useFile', metavar = 'string',
|
||||
help='optionally parse output descriptors from '+
|
||||
'outputXXX files of given name')
|
||||
parser.add_option('--option', dest='damaskOption', metavar = 'string',
|
||||
help='Add DAMASK option to input file, e.g. "periodic x z"')
|
||||
|
||||
parser.set_defaults(number = 0,
|
||||
homog = '1',
|
||||
cryst = '1',
|
||||
phase = '1')
|
||||
|
||||
(options, files) = parser.parse_args()
|
||||
|
||||
if not files:
|
||||
parser.error('no file(s) specified.')
|
||||
|
||||
me = { 'Homogenization': options.homog,
|
||||
'Crystallite': options.cryst,
|
||||
'Constitutive': options.phase,
|
||||
}
|
||||
|
||||
|
||||
for myFile in files:
|
||||
damask.util.report(scriptName,myFile)
|
||||
if options.useFile is not None:
|
||||
formatFile = os.path.splitext(options.useFile)[0]
|
||||
else:
|
||||
formatFile = os.path.splitext(myFile)[0]
|
||||
myFile = os.path.splitext(myFile)[0]+'.dat'
|
||||
if not os.path.lexists(myFile):
|
||||
print('{} not found'.format(myFile))
|
||||
continue
|
||||
|
||||
print('Scanning format files of: {}'.format(formatFile))
|
||||
|
||||
if options.number < 1:
|
||||
outputFormat = {}
|
||||
|
||||
for what in me:
|
||||
outputFormat[what] = ParseOutputFormat(formatFile,what,me[what])
|
||||
if '_id' not in outputFormat[what]['specials']:
|
||||
print("'{}' not found in <{}>".format(me[what],what))
|
||||
print('\n'.join(map(lambda x:' '+x,outputFormat[what]['specials']['brothers'])))
|
||||
sys.exit(1)
|
||||
|
||||
UserVars = ['HomogenizationCount']
|
||||
for var in outputFormat['Homogenization']['outputs']:
|
||||
if var[1] > 1:
|
||||
UserVars += ['%i_%s'%(i+1,var[0]) for i in range(var[1])]
|
||||
else:
|
||||
UserVars += ['%s'%(var[0]) for i in range(var[1])]
|
||||
|
||||
UserVars += ['GrainCount']
|
||||
|
||||
for grain in range(outputFormat['Homogenization']['specials']['(ngrains)']):
|
||||
UserVars += ['%i_CrystalliteCount'%(grain+1)]
|
||||
for var in outputFormat['Crystallite']['outputs']:
|
||||
if var[1] > 1:
|
||||
UserVars += ['%i_%i_%s'%(grain+1,i+1,var[0]) for i in range(var[1])]
|
||||
else:
|
||||
UserVars += ['%i_%s'%(grain+1,var[0]) for i in range(var[1])]
|
||||
|
||||
UserVars += ['%i_ConstitutiveCount'%(grain+1)]
|
||||
for var in outputFormat['Constitutive']['outputs']:
|
||||
if var[1] > 1:
|
||||
UserVars += ['%i_%i_%s'%(grain+1,i+1,var[0]) for i in range(var[1])]
|
||||
else:
|
||||
UserVars += ['%i_%s'%(grain+1,var[0]) for i in range(var[1])]
|
||||
|
||||
# Now change *.dat file(s)
|
||||
print('Adding labels to: {}'.format(myFile))
|
||||
inFile = open(myFile)
|
||||
input = inFile.readlines()
|
||||
inFile.close()
|
||||
output = open(myFile,'w')
|
||||
thisSection = ''
|
||||
if options.damaskOption is not None:
|
||||
output.write('$damask {0}\n'.format(options.damaskOption))
|
||||
for line in input:
|
||||
m = re.match('(\w+)\s',line)
|
||||
if m:
|
||||
lastSection = thisSection
|
||||
thisSection = m.group(1)
|
||||
if (lastSection == 'post' and thisSection == 'parameters'):
|
||||
if options.number > 0:
|
||||
for i in range(options.number):
|
||||
output.write('%10i%10i\n'%(-i-1,0))
|
||||
else:
|
||||
for i in range(len(UserVars)):
|
||||
output.write('%10i%10i%s\n'%(-i-1,0,UserVars[i]))
|
||||
if (thisSection != 'post' or not re.match('\s*\-',line)):
|
||||
output.write(line)
|
||||
output.close()
|
||||
|
|
@ -2,20 +2,25 @@
|
|||
import os
|
||||
|
||||
with open(os.path.join(os.path.dirname(__file__),'VERSION')) as f:
|
||||
version = f.readline()[1:-1]
|
||||
version = f.readline()[1:-1]
|
||||
|
||||
name = 'damask'
|
||||
|
||||
# classes
|
||||
from .environment import Environment # noqa
|
||||
from .asciitable import ASCIItable # noqa
|
||||
from .table import Table # noqa
|
||||
|
||||
from .config import Material # noqa
|
||||
from .colormaps import Colormap, Color # noqa
|
||||
from .orientation import Symmetry, Lattice, Rotation, Orientation # noqa
|
||||
from .dadf5 import DADF5 # noqa
|
||||
|
||||
#from .block import Block # only one class
|
||||
from .geom import Geom # noqa
|
||||
from .solver import Solver # noqa
|
||||
from .test import Test # noqa
|
||||
from .util import extendableOption # noqa
|
||||
|
||||
# functions in modules
|
||||
from . import mechanics # noqa
|
||||
|
||||
|
|
|
|||
|
|
@ -2,7 +2,7 @@ import os
|
|||
import sys
|
||||
import re
|
||||
import shlex
|
||||
from collections import Iterable
|
||||
from collections.abc import Iterable
|
||||
|
||||
import numpy as np
|
||||
|
||||
|
|
@ -15,7 +15,7 @@ except NameError:
|
|||
|
||||
# ------------------------------------------------------------------
|
||||
class ASCIItable():
|
||||
"""Read and write to ASCII tables"""
|
||||
"""Read and write to ASCII tables."""
|
||||
|
||||
tmpext = '_tmp' # filename extension for in-place access
|
||||
|
||||
|
|
@ -27,6 +27,7 @@ class ASCIItable():
|
|||
labeled = True, # assume table has labels
|
||||
readonly = False, # no reading from file
|
||||
):
|
||||
"""Read and write to ASCII tables."""
|
||||
self.__IO__ = {'output': [],
|
||||
'buffered': buffered,
|
||||
'labeled': labeled, # header contains labels
|
||||
|
|
@ -72,7 +73,7 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def _removeCRLF(self,
|
||||
string):
|
||||
"""Delete any carriage return and line feed from string"""
|
||||
"""Delete any carriage return and line feed from string."""
|
||||
try:
|
||||
return string.replace('\n','').replace('\r','')
|
||||
except AttributeError:
|
||||
|
|
@ -82,7 +83,7 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def _quote(self,
|
||||
what):
|
||||
"""Quote empty or white space-containing output"""
|
||||
"""Quote empty or white space-containing output."""
|
||||
return '{quote}{content}{quote}'.format(
|
||||
quote = ('"' if str(what)=='' or re.search(r"\s",str(what)) else ''),
|
||||
content = what)
|
||||
|
|
@ -103,7 +104,7 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def output_write(self,
|
||||
what):
|
||||
"""Aggregate a single row (string) or list of (possibly containing further lists of) rows into output"""
|
||||
"""Aggregate a single row (string) or list of (possibly containing further lists of) rows into output."""
|
||||
if isinstance(what, (str, unicode)):
|
||||
self.__IO__['output'] += [what]
|
||||
else:
|
||||
|
|
@ -143,7 +144,7 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def head_read(self):
|
||||
"""
|
||||
Get column labels
|
||||
Get column labels.
|
||||
|
||||
by either reading the first row or,
|
||||
if keyword "head[*]" is present, the last line of the header
|
||||
|
|
@ -154,7 +155,7 @@ class ASCIItable():
|
|||
pass
|
||||
|
||||
firstline = self.__IO__['in'].readline().strip()
|
||||
m = re.search('(\d+)\s+head', firstline.lower()) # search for "head" keyword
|
||||
m = re.search(r'(\d+)\s+head', firstline.lower()) # search for "head" keyword
|
||||
|
||||
if m: # proper ASCIItable format
|
||||
|
||||
|
|
@ -194,7 +195,7 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def head_write(self,
|
||||
header = True):
|
||||
"""Write current header information (info + labels)"""
|
||||
"""Write current header information (info + labels)."""
|
||||
head = ['{}\theader'.format(len(self.info)+self.__IO__['labeled'])] if header else []
|
||||
head.append(self.info)
|
||||
if self.__IO__['labeled']:
|
||||
|
|
@ -205,7 +206,7 @@ class ASCIItable():
|
|||
|
||||
# ------------------------------------------------------------------
|
||||
def head_getGeom(self):
|
||||
"""Interpret geom header"""
|
||||
"""Interpret geom header."""
|
||||
identifiers = {
|
||||
'grid': ['a','b','c'],
|
||||
'size': ['x','y','z'],
|
||||
|
|
@ -247,7 +248,7 @@ class ASCIItable():
|
|||
def labels_append(self,
|
||||
what,
|
||||
reset = False):
|
||||
"""Add item or list to existing set of labels (and switch on labeling)"""
|
||||
"""Add item or list to existing set of labels (and switch on labeling)."""
|
||||
if isinstance(what, (str, unicode)):
|
||||
self.tags += [self._removeCRLF(what)]
|
||||
else:
|
||||
|
|
@ -261,7 +262,7 @@ class ASCIItable():
|
|||
|
||||
# ------------------------------------------------------------------
|
||||
def labels_clear(self):
|
||||
"""Delete existing labels and switch to no labeling"""
|
||||
"""Delete existing labels and switch to no labeling."""
|
||||
self.tags = []
|
||||
self.__IO__['labeled'] = False
|
||||
|
||||
|
|
@ -392,7 +393,7 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def info_append(self,
|
||||
what):
|
||||
"""Add item or list to existing set of infos"""
|
||||
"""Add item or list to existing set of infos."""
|
||||
if isinstance(what, (str, unicode)):
|
||||
self.info += [self._removeCRLF(what)]
|
||||
else:
|
||||
|
|
@ -403,7 +404,7 @@ class ASCIItable():
|
|||
|
||||
# ------------------------------------------------------------------
|
||||
def info_clear(self):
|
||||
"""Delete any info block"""
|
||||
"""Delete any info block."""
|
||||
self.info = []
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
|
|
@ -416,7 +417,7 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def data_skipLines(self,
|
||||
count):
|
||||
"""Wind forward by count number of lines"""
|
||||
"""Wind forward by count number of lines."""
|
||||
for i in range(count):
|
||||
alive = self.data_read()
|
||||
|
||||
|
|
@ -426,7 +427,7 @@ class ASCIItable():
|
|||
def data_read(self,
|
||||
advance = True,
|
||||
respectLabels = True):
|
||||
"""Read next line (possibly buffered) and parse it into data array"""
|
||||
"""Read next line (possibly buffered) and parse it into data array."""
|
||||
self.line = self.__IO__['readBuffer'].pop(0) if len(self.__IO__['readBuffer']) > 0 \
|
||||
else self.__IO__['in'].readline().strip() # take buffered content or get next data row from file
|
||||
|
||||
|
|
@ -446,9 +447,11 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def data_readArray(self,
|
||||
labels = []):
|
||||
"""Read whole data of all (given) labels as numpy array"""
|
||||
try: self.data_rewind() # try to wind back to start of data
|
||||
except: pass # assume/hope we are at data start already...
|
||||
"""Read whole data of all (given) labels as numpy array."""
|
||||
try:
|
||||
self.data_rewind() # try to wind back to start of data
|
||||
except IOError:
|
||||
pass # assume/hope we are at data start already...
|
||||
|
||||
if labels is None or labels == []:
|
||||
use = None # use all columns (and keep labels intact)
|
||||
|
|
@ -480,7 +483,7 @@ class ASCIItable():
|
|||
# ------------------------------------------------------------------
|
||||
def data_write(self,
|
||||
delimiter = '\t'):
|
||||
"""Write current data array and report alive output back"""
|
||||
"""Write current data array and report alive output back."""
|
||||
if len(self.data) == 0: return True
|
||||
|
||||
if isinstance(self.data[0],list):
|
||||
|
|
@ -492,16 +495,16 @@ class ASCIItable():
|
|||
def data_writeArray(self,
|
||||
fmt = None,
|
||||
delimiter = '\t'):
|
||||
"""Write whole numpy array data"""
|
||||
"""Write whole numpy array data."""
|
||||
for row in self.data:
|
||||
try:
|
||||
output = [fmt % value for value in row] if fmt else list(map(repr,row))
|
||||
except:
|
||||
except Exception:
|
||||
output = [fmt % row] if fmt else [repr(row)]
|
||||
|
||||
try:
|
||||
self.__IO__['out'].write(delimiter.join(output) + '\n')
|
||||
except:
|
||||
except Exception:
|
||||
pass
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
|
|
@ -545,7 +548,7 @@ class ASCIItable():
|
|||
grid,
|
||||
type = 'i',
|
||||
strict = False):
|
||||
"""Read microstructure data (from .geom format)"""
|
||||
"""Read microstructure data (from .geom format)."""
|
||||
def datatype(item):
|
||||
return int(item) if type.lower() == 'i' else float(item)
|
||||
|
||||
|
|
|
|||
|
|
@ -7,6 +7,7 @@ import numpy as np
|
|||
|
||||
from . import util
|
||||
from . import version
|
||||
from . import mechanics
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
class DADF5():
|
||||
|
|
@ -17,19 +18,26 @@ class DADF5():
|
|||
"""
|
||||
|
||||
# ------------------------------------------------------------------
|
||||
def __init__(self,filename):
|
||||
def __init__(self,fname):
|
||||
"""
|
||||
Opens an existing DADF5 file.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
filename : str
|
||||
fname : str
|
||||
name of the DADF5 file to be openend.
|
||||
|
||||
"""
|
||||
with h5py.File(filename,'r') as f:
|
||||
with h5py.File(fname,'r') as f:
|
||||
|
||||
if f.attrs['DADF5-major'] != 0 or f.attrs['DADF5-minor'] != 2:
|
||||
try:
|
||||
self.version_major = f.attrs['DADF5_version_major']
|
||||
self.version_minor = f.attrs['DADF5_version_minor']
|
||||
except KeyError:
|
||||
self.version_major = f.attrs['DADF5-major']
|
||||
self.version_minor = f.attrs['DADF5-minor']
|
||||
|
||||
if self.version_major != 0 or not 2 <= self.version_minor <= 4:
|
||||
raise TypeError('Unsupported DADF5 version {} '.format(f.attrs['DADF5-version']))
|
||||
|
||||
self.structured = 'grid' in f['geometry'].attrs.keys()
|
||||
|
|
@ -39,8 +47,9 @@ class DADF5():
|
|||
self.size = f['geometry'].attrs['size']
|
||||
|
||||
r=re.compile('inc[0-9]+')
|
||||
self.increments = [i for i in f.keys() if r.match(i)]
|
||||
self.times = [round(f[i].attrs['time/s'],12) for i in self.increments]
|
||||
increments_unsorted = {int(i[3:]):i for i in f.keys() if r.match(i)}
|
||||
self.increments = [increments_unsorted[i] for i in sorted(increments_unsorted)]
|
||||
self.times = [round(f[i].attrs['time/s'],12) for i in self.increments]
|
||||
|
||||
self.Nmaterialpoints, self.Nconstituents = np.shape(f['mapping/cellResults/constituent'])
|
||||
self.materialpoints = [m.decode() for m in np.unique(f['mapping/cellResults/materialpoint']['Name'])]
|
||||
|
|
@ -49,21 +58,21 @@ class DADF5():
|
|||
self.con_physics = []
|
||||
for c in self.constituents:
|
||||
self.con_physics += f['/'.join([self.increments[0],'constituent',c])].keys()
|
||||
self.con_physics = list(set(self.con_physics)) # make unique
|
||||
self.con_physics = list(set(self.con_physics)) # make unique
|
||||
|
||||
self.mat_physics = []
|
||||
for m in self.materialpoints:
|
||||
self.mat_physics += f['/'.join([self.increments[0],'materialpoint',m])].keys()
|
||||
self.mat_physics = list(set(self.mat_physics)) # make unique
|
||||
self.mat_physics = list(set(self.mat_physics)) # make unique
|
||||
|
||||
self.visible= {'increments': self.increments,
|
||||
'constituents': self.constituents,
|
||||
'materialpoints': self.materialpoints,
|
||||
'constituent': range(self.Nconstituents), # ToDo: stupid naming
|
||||
'constituent': range(self.Nconstituents), # ToDo: stupid naming
|
||||
'con_physics': self.con_physics,
|
||||
'mat_physics': self.mat_physics}
|
||||
|
||||
self.filename = filename
|
||||
self.fname = fname
|
||||
|
||||
|
||||
def __manage_visible(self,datasets,what,action):
|
||||
|
|
@ -90,7 +99,7 @@ class DADF5():
|
|||
|
||||
valid = [e for e_ in [glob.fnmatch.filter(getattr(self,what),s) for s in choice] for e in e_]
|
||||
existing = set(self.visible[what])
|
||||
|
||||
|
||||
if action == 'set':
|
||||
self.visible[what] = valid
|
||||
elif action == 'add':
|
||||
|
|
@ -102,21 +111,21 @@ class DADF5():
|
|||
def __time_to_inc(self,start,end):
|
||||
selected = []
|
||||
for i,time in enumerate(self.times):
|
||||
if start <= time < end:
|
||||
if start <= time <= end:
|
||||
selected.append(self.increments[i])
|
||||
return selected
|
||||
|
||||
|
||||
def set_by_time(self,start,end):
|
||||
"""
|
||||
Sets active time increments based on start and end time.
|
||||
Set active increments based on start and end time.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
start : float
|
||||
start time (included)
|
||||
end : float
|
||||
end time (exclcuded)
|
||||
end time (included)
|
||||
|
||||
"""
|
||||
self.__manage_visible(self.__time_to_inc(start,end),'increments','set')
|
||||
|
|
@ -124,14 +133,14 @@ class DADF5():
|
|||
|
||||
def add_by_time(self,start,end):
|
||||
"""
|
||||
Adds to active time increments based on start and end time.
|
||||
Add to active increments based on start and end time.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
start : float
|
||||
start time (included)
|
||||
end : float
|
||||
end time (exclcuded)
|
||||
end time (included)
|
||||
|
||||
"""
|
||||
self.__manage_visible(self.__time_to_inc(start,end),'increments','add')
|
||||
|
|
@ -139,22 +148,76 @@ class DADF5():
|
|||
|
||||
def del_by_time(self,start,end):
|
||||
"""
|
||||
Delets from active time increments based on start and end time.
|
||||
Delete from active increments based on start and end time.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
start : float
|
||||
start time (included)
|
||||
end : float
|
||||
end time (exclcuded)
|
||||
end time (included)
|
||||
|
||||
"""
|
||||
self.__manage_visible(self.__time_to_inc(start,end),'increments','del')
|
||||
|
||||
|
||||
def set_by_increment(self,start,end):
|
||||
"""
|
||||
Set active time increments based on start and end increment.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
start : int
|
||||
start increment (included)
|
||||
end : int
|
||||
end increment (included)
|
||||
|
||||
"""
|
||||
if self.version_minor >= 4:
|
||||
self.__manage_visible([ 'inc{}'.format(i) for i in range(start,end+1)],'increments','set')
|
||||
else:
|
||||
self.__manage_visible(['inc{:05d}'.format(i) for i in range(start,end+1)],'increments','set')
|
||||
|
||||
|
||||
def add_by_increment(self,start,end):
|
||||
"""
|
||||
Add to active time increments based on start and end increment.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
start : int
|
||||
start increment (included)
|
||||
end : int
|
||||
end increment (included)
|
||||
|
||||
"""
|
||||
if self.version_minor >= 4:
|
||||
self.__manage_visible([ 'inc{}'.format(i) for i in range(start,end+1)],'increments','add')
|
||||
else:
|
||||
self.__manage_visible(['inc{:05d}'.format(i) for i in range(start,end+1)],'increments','add')
|
||||
|
||||
|
||||
def del_by_increment(self,start,end):
|
||||
"""
|
||||
Delet from active time increments based on start and end increment.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
start : int
|
||||
start increment (included)
|
||||
end : int
|
||||
end increment (included)
|
||||
|
||||
"""
|
||||
if self.version_minor >= 4:
|
||||
self.__manage_visible([ 'inc{}'.format(i) for i in range(start,end+1)],'increments','del')
|
||||
else:
|
||||
self.__manage_visible(['inc{:05d}'.format(i) for i in range(start,end+1)],'increments','del')
|
||||
|
||||
|
||||
def iter_visible(self,what):
|
||||
"""
|
||||
Iterates over visible items by setting each one visible.
|
||||
Iterate over visible items by setting each one visible.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
|
|
@ -176,7 +239,7 @@ class DADF5():
|
|||
|
||||
def set_visible(self,what,datasets):
|
||||
"""
|
||||
Sets active groups.
|
||||
Set active groups.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
|
|
@ -192,7 +255,7 @@ class DADF5():
|
|||
|
||||
def add_visible(self,what,datasets):
|
||||
"""
|
||||
Adds to active groups.
|
||||
Add to active groups.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
|
|
@ -208,7 +271,7 @@ class DADF5():
|
|||
|
||||
def del_visible(self,what,datasets):
|
||||
"""
|
||||
Removes from active groupse.
|
||||
Delete from active groupse.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
|
|
@ -252,7 +315,7 @@ class DADF5():
|
|||
|
||||
groups = []
|
||||
|
||||
with h5py.File(self.filename,'r') as f:
|
||||
with h5py.File(self.fname,'r') as f:
|
||||
for i in self.iter_visible('increments'):
|
||||
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
|
||||
for oo in self.iter_visible(o):
|
||||
|
|
@ -267,11 +330,11 @@ class DADF5():
|
|||
|
||||
|
||||
def list_data(self):
|
||||
"""Gives information on all active datasets in the file."""
|
||||
"""Return information on all active datasets in the file."""
|
||||
message = ''
|
||||
with h5py.File(self.filename,'r') as f:
|
||||
for i in self.iter_visible('increments'):
|
||||
message+='\n{}\n'.format(i)
|
||||
with h5py.File(self.fname,'r') as f:
|
||||
for s,i in enumerate(self.iter_visible('increments')):
|
||||
message+='\n{} ({}s)\n'.format(i,self.times[s])
|
||||
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
|
||||
for oo in self.iter_visible(o):
|
||||
message+=' {}\n'.format(oo)
|
||||
|
|
@ -280,17 +343,24 @@ class DADF5():
|
|||
group = '/'.join([i,o[:-1],oo,pp]) # o[:-1]: plural/singular issue
|
||||
for d in f[group].keys():
|
||||
try:
|
||||
message+=' {} ({})\n'.format(d,f['/'.join([group,d])].attrs['Description'].decode())
|
||||
dataset = f['/'.join([group,d])]
|
||||
message+=' {} / ({}): {}\n'.format(d,dataset.attrs['Unit'].decode(),dataset.attrs['Description'].decode())
|
||||
except KeyError:
|
||||
pass
|
||||
return message
|
||||
|
||||
|
||||
def get_dataset_location(self,label):
|
||||
"""Returns the location of all active datasets with given label."""
|
||||
"""Return the location of all active datasets with given label."""
|
||||
path = []
|
||||
with h5py.File(self.filename,'r') as f:
|
||||
for i in self.iter_visible('increments'):
|
||||
with h5py.File(self.fname,'r') as f:
|
||||
for i in self.iter_visible('increments'):
|
||||
k = '/'.join([i,'geometry',label])
|
||||
try:
|
||||
f[k]
|
||||
path.append(k)
|
||||
except KeyError as e:
|
||||
print('unable to locate geometry dataset: {}'.format(str(e)))
|
||||
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
|
||||
for oo in self.iter_visible(o):
|
||||
for pp in self.iter_visible(p):
|
||||
|
|
@ -299,39 +369,43 @@ class DADF5():
|
|||
f[k]
|
||||
path.append(k)
|
||||
except KeyError as e:
|
||||
print('unable to locate constituents dataset: '+ str(e))
|
||||
print('unable to locate {} dataset: {}'.format(o,str(e)))
|
||||
return path
|
||||
|
||||
|
||||
def get_constituent_ID(self,c=0):
|
||||
"""Pointwise constituent ID."""
|
||||
with h5py.File(self.filename,'r') as f:
|
||||
with h5py.File(self.fname,'r') as f:
|
||||
names = f['/mapping/cellResults/constituent']['Name'][:,c].astype('str')
|
||||
return np.array([int(n.split('_')[0]) for n in names.tolist()],dtype=np.int32)
|
||||
|
||||
|
||||
def get_crystal_structure(self): # ToDo: extension to multi constituents/phase
|
||||
"""Info about the crystal structure."""
|
||||
with h5py.File(self.filename,'r') as f:
|
||||
with h5py.File(self.fname,'r') as f:
|
||||
return f[self.get_dataset_location('orientation')[0]].attrs['Lattice'].astype('str') # np.bytes_ to string
|
||||
|
||||
|
||||
def read_dataset(self,path,c):
|
||||
def read_dataset(self,path,c=0,plain=False):
|
||||
"""
|
||||
Dataset for all points/cells.
|
||||
|
||||
If more than one path is given, the dataset is composed of the individual contributions
|
||||
If more than one path is given, the dataset is composed of the individual contributions.
|
||||
"""
|
||||
with h5py.File(self.filename,'r') as f:
|
||||
with h5py.File(self.fname,'r') as f:
|
||||
shape = (self.Nmaterialpoints,) + np.shape(f[path[0]])[1:]
|
||||
if len(shape) == 1: shape = shape +(1,)
|
||||
dataset = np.full(shape,np.nan,dtype=np.dtype(f[path[0]]))
|
||||
for pa in path:
|
||||
label = pa.split('/')[2]
|
||||
label = pa.split('/')[2]
|
||||
|
||||
if (pa.split('/')[1] == 'geometry'):
|
||||
dataset = np.array(f[pa])
|
||||
continue
|
||||
|
||||
p = np.where(f['mapping/cellResults/constituent'][:,c]['Name'] == str.encode(label))[0]
|
||||
if len(p)>0:
|
||||
u = (f['mapping/cellResults/constituent'][p,c]['Position'])
|
||||
u = (f['mapping/cellResults/constituent']['Position'][p,c])
|
||||
a = np.array(f[pa])
|
||||
if len(a.shape) == 1:
|
||||
a=a.reshape([a.shape[0],1])
|
||||
|
|
@ -339,17 +413,20 @@ class DADF5():
|
|||
|
||||
p = np.where(f['mapping/cellResults/materialpoint']['Name'] == str.encode(label))[0]
|
||||
if len(p)>0:
|
||||
u = (f['mapping/cellResults/materialpoint'][p.tolist()]['Position'])
|
||||
u = (f['mapping/cellResults/materialpoint']['Position'][p.tolist()])
|
||||
a = np.array(f[pa])
|
||||
if len(a.shape) == 1:
|
||||
a=a.reshape([a.shape[0],1])
|
||||
dataset[p,:] = a[u,:]
|
||||
|
||||
return dataset
|
||||
|
||||
if plain and dataset.dtype.names is not None:
|
||||
return dataset.view(('float64',len(dataset.dtype.names)))
|
||||
else:
|
||||
return dataset
|
||||
|
||||
|
||||
def cell_coordinates(self):
|
||||
"""Initial coordinates of the cell centers."""
|
||||
"""Return initial coordinates of the cell centers."""
|
||||
if self.structured:
|
||||
delta = self.size/self.grid*0.5
|
||||
z, y, x = np.meshgrid(np.linspace(delta[2],self.size[2]-delta[2],self.grid[2]),
|
||||
|
|
@ -358,76 +435,237 @@ class DADF5():
|
|||
)
|
||||
return np.concatenate((x[:,:,:,None],y[:,:,:,None],y[:,:,:,None]),axis = 3).reshape([np.product(self.grid),3])
|
||||
else:
|
||||
with h5py.File(self.filename,'r') as f:
|
||||
with h5py.File(self.fname,'r') as f:
|
||||
return f['geometry/x_c'][()]
|
||||
|
||||
|
||||
def add_absolute(self,x):
|
||||
"""
|
||||
Add absolute value.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : str
|
||||
Label of the dataset containing a scalar, vector, or tensor.
|
||||
|
||||
"""
|
||||
def __add_absolute(x):
|
||||
|
||||
return {
|
||||
'data': np.abs(x['data']),
|
||||
'label': '|{}|'.format(x['label']),
|
||||
'meta': {
|
||||
'Unit': x['meta']['Unit'],
|
||||
'Description': 'Absolute value of {} ({})'.format(x['label'],x['meta']['Description']),
|
||||
'Creator': 'dadf5.py:add_abs v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':x,'arg':'x'}]
|
||||
|
||||
self.__add_generic_pointwise(__add_absolute,requested)
|
||||
|
||||
|
||||
def add_calculation(self,formula,label,unit='n/a',description=None,vectorized=True):
|
||||
"""
|
||||
Add result of a general formula.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
formula : str
|
||||
Formula, refer to datasets by ‘#Label#‘.
|
||||
label : str
|
||||
Label of the dataset containing the result of the calculation.
|
||||
unit : str, optional
|
||||
Physical unit of the result.
|
||||
description : str, optional
|
||||
Human readable description of the result.
|
||||
vectorized : bool, optional
|
||||
Indicate whether the formula is written in vectorized form. Default is ‘True’.
|
||||
|
||||
"""
|
||||
if vectorized is not True:
|
||||
raise NotImplementedError
|
||||
|
||||
def __add_calculation(**kwargs):
|
||||
|
||||
formula = kwargs['formula']
|
||||
for d in re.findall(r'#(.*?)#',formula):
|
||||
formula = formula.replace('#{}#'.format(d),"kwargs['{}']['data']".format(d))
|
||||
|
||||
return {
|
||||
'data': eval(formula),
|
||||
'label': kwargs['label'],
|
||||
'meta': {
|
||||
'Unit': kwargs['unit'],
|
||||
'Description': '{} (formula: {})'.format(kwargs['description'],kwargs['formula']),
|
||||
'Creator': 'dadf5.py:add_calculation v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':d,'arg':d} for d in set(re.findall(r'#(.*?)#',formula))] # datasets used in the formula
|
||||
pass_through = {'formula':formula,'label':label,'unit':unit,'description':description}
|
||||
|
||||
self.__add_generic_pointwise(__add_calculation,requested,pass_through)
|
||||
|
||||
|
||||
def add_Cauchy(self,P='P',F='F'):
|
||||
"""
|
||||
Adds Cauchy stress calculated from 1st Piola-Kirchhoff stress and deformation gradient.
|
||||
Add Cauchy stress calculated from 1. Piola-Kirchhoff stress and deformation gradient.
|
||||
|
||||
Resulting tensor is symmetrized as the Cauchy stress should be symmetric.
|
||||
Parameters
|
||||
----------
|
||||
P : str, optional
|
||||
Label of the dataset containing the 1. Piola-Kirchhoff stress. Default value is ‘P’.
|
||||
F : str, optional
|
||||
Label of the dataset containing the deformation gradient. Default value is ‘F’.
|
||||
|
||||
"""
|
||||
def Cauchy(F,P):
|
||||
sigma = np.einsum('i,ijk,ilk->ijl',1.0/np.linalg.det(F['data']),P['data'],F['data'])
|
||||
sigma = (sigma + np.transpose(sigma,(0,2,1)))*0.5 # enforce symmetry
|
||||
return {
|
||||
'data' : sigma,
|
||||
'label' : 'sigma',
|
||||
'meta' : {
|
||||
'Unit' : P['meta']['Unit'],
|
||||
'Description' : 'Cauchy stress calculated from {} ({}) '.format(P['label'],P['meta']['Description'])+\
|
||||
'and deformation gradient {} ({})'.format(F['label'],F['meta']['Description']),
|
||||
'Creator' : 'dadf5.py:add_Cauchy v{}'.format(version)
|
||||
def __add_Cauchy(F,P):
|
||||
|
||||
return {
|
||||
'data': mechanics.Cauchy(F['data'],P['data']),
|
||||
'label': 'sigma',
|
||||
'meta': {
|
||||
'Unit': P['meta']['Unit'],
|
||||
'Description': 'Cauchy stress calculated from {} ({}) '.format(P['label'],P['meta']['Description'])+\
|
||||
'and deformation gradient {} ({})'.format(F['label'],F['meta']['Description']),
|
||||
'Creator': 'dadf5.py:add_Cauchy v{}'.format(version)
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':F,'arg':'F'},
|
||||
{'label':P,'arg':'P'} ]
|
||||
|
||||
self.__add_generic_pointwise(Cauchy,requested)
|
||||
self.__add_generic_pointwise(__add_Cauchy,requested)
|
||||
|
||||
|
||||
def add_Mises(self,x):
|
||||
"""Adds the equivalent Mises stress or strain of a tensor."""
|
||||
def Mises(x):
|
||||
def add_determinant(self,x):
|
||||
"""
|
||||
Add the determinant of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : str
|
||||
Label of the dataset containing a tensor.
|
||||
|
||||
"""
|
||||
def __add_determinant(x):
|
||||
|
||||
if x['meta']['Unit'] == b'Pa': #ToDo: Should we use this? Then add_Cauchy and add_strain_tensors also should perform sanity checks
|
||||
factor = 3.0/2.0
|
||||
t = 'stress'
|
||||
elif x['meta']['Unit'] == b'1':
|
||||
factor = 2.0/3.0
|
||||
t = 'strain'
|
||||
else:
|
||||
print(x['meta']['Unit'])
|
||||
return {
|
||||
'data': np.linalg.det(x['data']),
|
||||
'label': 'det({})'.format(x['label']),
|
||||
'meta': {
|
||||
'Unit': x['meta']['Unit'],
|
||||
'Description': 'Determinant of tensor {} ({})'.format(x['label'],x['meta']['Description']),
|
||||
'Creator': 'dadf5.py:add_determinant v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':x,'arg':'x'}]
|
||||
|
||||
self.__add_generic_pointwise(__add_determinant,requested)
|
||||
|
||||
|
||||
def add_deviator(self,x):
|
||||
"""
|
||||
Add the deviatoric part of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : str
|
||||
Label of the dataset containing a tensor.
|
||||
|
||||
"""
|
||||
def __add_deviator(x):
|
||||
|
||||
if not np.all(np.array(x['data'].shape[1:]) == np.array([3,3])):
|
||||
raise ValueError
|
||||
|
||||
d = x['data']
|
||||
dev = d - np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),[d.shape[0],3,3]),np.trace(d,axis1=1,axis2=2)/3.0)
|
||||
#dev_sym = (dev + np.einsum('ikj',dev))*0.5 # ToDo: this is not needed (only if the input is not symmetric, but then the whole concept breaks down)
|
||||
|
||||
return {
|
||||
'data' : np.sqrt(np.einsum('ijk->i',dev**2)*factor),
|
||||
'label' : '{}_vM'.format(x['label']),
|
||||
'meta' : {
|
||||
'Unit' : x['meta']['Unit'],
|
||||
'Description' : 'Mises equivalent {} of {} ({})'.format(t,x['label'],x['meta']['Description']),
|
||||
'Creator' : 'dadf5.py:add_Mises_stress v{}'.format(version)
|
||||
return {
|
||||
'data': mechanics.deviatoric_part(x['data']),
|
||||
'label': 's_{}'.format(x['label']),
|
||||
'meta': {
|
||||
'Unit': x['meta']['Unit'],
|
||||
'Description': 'Deviator of tensor {} ({})'.format(x['label'],x['meta']['Description']),
|
||||
'Creator': 'dadf5.py:add_deviator v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':x,'arg':'x'}]
|
||||
|
||||
self.__add_generic_pointwise(Mises,requested)
|
||||
self.__add_generic_pointwise(__add_deviator,requested)
|
||||
|
||||
|
||||
def add_maximum_shear(self,x):
|
||||
"""
|
||||
Add maximum shear components of symmetric tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : str
|
||||
Label of the dataset containing a symmetric tensor.
|
||||
|
||||
"""
|
||||
def __add_maximum_shear(x):
|
||||
|
||||
return {
|
||||
'data': mechanics.maximum_shear(x['data']),
|
||||
'label': 'max_shear({})'.format(x['label']),
|
||||
'meta': {
|
||||
'Unit': x['meta']['Unit'],
|
||||
'Description': 'Maximum shear component of of {} ({})'.format(x['label'],x['meta']['Description']),
|
||||
'Creator': 'dadf5.py:add_maximum_shear v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':x,'arg':'x'}]
|
||||
|
||||
self.__add_generic_pointwise(__add_maximum_shear,requested)
|
||||
|
||||
|
||||
def add_Mises(self,x):
|
||||
"""
|
||||
Add the equivalent Mises stress or strain of a symmetric tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : str
|
||||
Label of the dataset containing a symmetric stress or strain tensor.
|
||||
|
||||
"""
|
||||
def __add_Mises(x):
|
||||
|
||||
t = 'strain' if x['meta']['Unit'] == '1' else \
|
||||
'stress'
|
||||
return {
|
||||
'data': mechanics.Mises_strain(x['data']) if t=='strain' else mechanics.Mises_stress(x['data']),
|
||||
'label': '{}_vM'.format(x['label']),
|
||||
'meta': {
|
||||
'Unit': x['meta']['Unit'],
|
||||
'Description': 'Mises equivalent {} of {} ({})'.format(t,x['label'],x['meta']['Description']),
|
||||
'Creator': 'dadf5.py:add_Mises v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':x,'arg':'x'}]
|
||||
|
||||
self.__add_generic_pointwise(__add_Mises,requested)
|
||||
|
||||
|
||||
def add_norm(self,x,ord=None):
|
||||
"""
|
||||
Adds norm of vector or tensor.
|
||||
Add the norm of vector or tensor.
|
||||
|
||||
See numpy.linalg.norm manual for details.
|
||||
Parameters
|
||||
----------
|
||||
x : str
|
||||
Label of the dataset containing a vector or tensor.
|
||||
ord : {non-zero int, inf, -inf, ‘fro’, ‘nuc’}, optional
|
||||
Order of the norm. inf means numpy’s inf object. For details refer to numpy.linalg.norm.
|
||||
|
||||
"""
|
||||
def norm(x,ord):
|
||||
def __add_norm(x,ord):
|
||||
|
||||
o = ord
|
||||
if len(x['data'].shape) == 2:
|
||||
|
|
@ -441,178 +679,112 @@ class DADF5():
|
|||
else:
|
||||
raise ValueError
|
||||
|
||||
return {
|
||||
'data' : np.linalg.norm(x['data'],ord=o,axis=axis,keepdims=True),
|
||||
'label' : '|{}|_{}'.format(x['label'],o),
|
||||
'meta' : {
|
||||
'Unit' : x['meta']['Unit'],
|
||||
'Description' : '{}-Norm of {} {} ({})'.format(ord,t,x['label'],x['meta']['Description']),
|
||||
'Creator' : 'dadf5.py:add_norm v{}'.format(version)
|
||||
return {
|
||||
'data': np.linalg.norm(x['data'],ord=o,axis=axis,keepdims=True),
|
||||
'label': '|{}|_{}'.format(x['label'],o),
|
||||
'meta': {
|
||||
'Unit': x['meta']['Unit'],
|
||||
'Description': '{}-Norm of {} {} ({})'.format(ord,t,x['label'],x['meta']['Description']),
|
||||
'Creator': 'dadf5.py:add_norm v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':x,'arg':'x'}]
|
||||
|
||||
self.__add_generic_pointwise(norm,requested,{'ord':ord})
|
||||
self.__add_generic_pointwise(__add_norm,requested,{'ord':ord})
|
||||
|
||||
|
||||
def add_absolute(self,x):
|
||||
"""Adds absolute value."""
|
||||
def absolute(x):
|
||||
def add_principal_components(self,x):
|
||||
"""
|
||||
Add principal components of symmetric tensor.
|
||||
|
||||
The principal components are sorted in descending order, each repeated according to its multiplicity.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : str
|
||||
Label of the dataset containing a symmetric tensor.
|
||||
|
||||
return {
|
||||
'data' : np.abs(x['data']),
|
||||
'label' : '|{}|'.format(x['label']),
|
||||
'meta' : {
|
||||
'Unit' : x['meta']['Unit'],
|
||||
'Description' : 'Absolute value of {} ({})'.format(x['label'],x['meta']['Description']),
|
||||
'Creator' : 'dadf5.py:add_abs v{}'.format(version)
|
||||
"""
|
||||
def __add_principal_components(x):
|
||||
|
||||
return {
|
||||
'data': mechanics.principal_components(x['data']),
|
||||
'label': 'lambda_{}'.format(x['label']),
|
||||
'meta': {
|
||||
'Unit': x['meta']['Unit'],
|
||||
'Description': 'Pricipal components of {} ({})'.format(x['label'],x['meta']['Description']),
|
||||
'Creator': 'dadf5.py:add_principal_components v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':x,'arg':'x'}]
|
||||
|
||||
self.__add_generic_pointwise(absolute,requested)
|
||||
|
||||
|
||||
def add_determinant(self,x):
|
||||
"""Adds the determinant component of a tensor."""
|
||||
def determinant(x):
|
||||
|
||||
return {
|
||||
'data' : np.linalg.det(x['data']),
|
||||
'label' : 'det({})'.format(x['label']),
|
||||
'meta' : {
|
||||
'Unit' : x['meta']['Unit'],
|
||||
'Description' : 'Determinant of tensor {} ({})'.format(x['label'],x['meta']['Description']),
|
||||
'Creator' : 'dadf5.py:add_determinant v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':x,'arg':'x'}]
|
||||
|
||||
self.__add_generic_pointwise(determinant,requested)
|
||||
self.__add_generic_pointwise(__add_principal_components,requested)
|
||||
|
||||
|
||||
def add_spherical(self,x):
|
||||
"""Adds the spherical component of a tensor."""
|
||||
def spherical(x):
|
||||
"""
|
||||
Add the spherical (hydrostatic) part of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : str
|
||||
Label of the dataset containing a tensor.
|
||||
|
||||
"""
|
||||
def __add_spherical(x):
|
||||
|
||||
if not np.all(np.array(x['data'].shape[1:]) == np.array([3,3])):
|
||||
raise ValueError
|
||||
|
||||
return {
|
||||
'data' : np.trace(x['data'],axis1=1,axis2=2)/3.0,
|
||||
'label' : 'sph({})'.format(x['label']),
|
||||
'meta' : {
|
||||
'Unit' : x['meta']['Unit'],
|
||||
'Description' : 'Spherical component of tensor {} ({})'.format(x['label'],x['meta']['Description']),
|
||||
'Creator' : 'dadf5.py:add_spherical v{}'.format(version)
|
||||
return {
|
||||
'data': mechanics.spherical_part(x['data']),
|
||||
'label': 'p_{}'.format(x['label']),
|
||||
'meta': {
|
||||
'Unit': x['meta']['Unit'],
|
||||
'Description': 'Spherical component of tensor {} ({})'.format(x['label'],x['meta']['Description']),
|
||||
'Creator': 'dadf5.py:add_spherical v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':x,'arg':'x'}]
|
||||
|
||||
self.__add_generic_pointwise(spherical,requested)
|
||||
self.__add_generic_pointwise(__add_spherical,requested)
|
||||
|
||||
|
||||
def add_deviator(self,x):
|
||||
"""Adds the deviator of a tensor."""
|
||||
def deviator(x):
|
||||
d = x['data']
|
||||
|
||||
if not np.all(np.array(d.shape[1:]) == np.array([3,3])):
|
||||
raise ValueError
|
||||
|
||||
return {
|
||||
'data' : d - np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),[d.shape[0],3,3]),np.trace(d,axis1=1,axis2=2)/3.0),
|
||||
'label' : 'dev({})'.format(x['label']),
|
||||
'meta' : {
|
||||
'Unit' : x['meta']['Unit'],
|
||||
'Description' : 'Deviator of tensor {} ({})'.format(x['label'],x['meta']['Description']),
|
||||
'Creator' : 'dadf5.py:add_deviator v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':x,'arg':'x'}]
|
||||
|
||||
self.__add_generic_pointwise(deviator,requested)
|
||||
|
||||
|
||||
def add_calculation(self,formula,label,unit='n/a',description=None,vectorized=True):
|
||||
def add_strain_tensor(self,F='F',t='U',m=0):
|
||||
"""
|
||||
General formula.
|
||||
Add strain tensor calculated from a deformation gradient.
|
||||
|
||||
Works currently only for vectorized expressions
|
||||
For details refer to damask.mechanics.strain_tensor
|
||||
|
||||
Parameters
|
||||
----------
|
||||
F : str, optional
|
||||
Label of the dataset containing the deformation gradient. Default value is ‘F’.
|
||||
t : {‘V’, ‘U’}, optional
|
||||
Type of the polar decomposition, ‘V’ for right stretch tensor and ‘U’ for left stretch tensor.
|
||||
Defaults value is ‘U’.
|
||||
m : float, optional
|
||||
Order of the strain calculation. Default value is ‘0.0’.
|
||||
|
||||
"""
|
||||
if vectorized is not True:
|
||||
raise NotImplementedError
|
||||
|
||||
def calculation(**kwargs):
|
||||
def __add_strain_tensor(F,t,m):
|
||||
|
||||
formula = kwargs['formula']
|
||||
for d in re.findall(r'#(.*?)#',formula):
|
||||
formula = re.sub('#{}#'.format(d),"kwargs['{}']['data']".format(d),formula)
|
||||
|
||||
return {
|
||||
'data' : eval(formula),
|
||||
'label' : kwargs['label'],
|
||||
'meta' : {
|
||||
'Unit' : kwargs['unit'],
|
||||
'Description' : '{}'.format(kwargs['description']),
|
||||
'Creator' : 'dadf5.py:add_calculation v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':d,'arg':d} for d in re.findall(r'#(.*?)#',formula)] # datasets used in the formula
|
||||
pass_through = {'formula':formula,'label':label,'unit':unit,'description':description}
|
||||
|
||||
self.__add_generic_pointwise(calculation,requested,pass_through)
|
||||
|
||||
|
||||
def add_strain_tensor(self,t,ord,defgrad='F'): #ToDo: Use t and ord
|
||||
"""
|
||||
Adds the a strain tensor.
|
||||
|
||||
Albrecht Bertram: Elasticity and Plasticity of Large Deformations An Introduction (3rd Edition, 2012), p. 102.
|
||||
"""
|
||||
def strain_tensor(defgrad,t,ord):
|
||||
|
||||
operator = {
|
||||
'V#ln': lambda V: np.log(V),
|
||||
'U#ln': lambda U: np.log(U),
|
||||
'V#Biot': lambda V: np.broadcast_to(np.ones(3),[V.shape[0],3]) - 1.0/V,
|
||||
'U#Biot': lambda U: U - np.broadcast_to(np.ones(3),[U.shape[0],3]),
|
||||
'V#Green':lambda V: np.broadcast_to(np.ones(3),[V.shape[0],3]) - 1.0/V**2,
|
||||
'U#Green':lambda U: U**2 - np.broadcast_to(np.ones(3),[U.shape[0],3]),
|
||||
}
|
||||
|
||||
(U,S,Vh) = np.linalg.svd(defgrad['data']) # singular value decomposition
|
||||
R_inv = np.transpose(np.matmul(U,Vh),(0,2,1)) # transposed rotation of polar decomposition
|
||||
U = np.matmul(R_inv,defgrad['data']) # F = RU
|
||||
(D,V) = np.linalg.eigh((U+np.transpose(U,(0,2,1)))*.5) # eigen decomposition (of symmetric(ed) matrix)
|
||||
|
||||
neg = np.where(D < 0.0) # find negative eigenvalues ...
|
||||
D[neg[0],neg[1]] = D[neg[0],neg[1]]* -1 # ... flip value ...
|
||||
V[neg[0],:,neg[1]] = V[neg[0],:,neg[1]]* -1 # ... and vector
|
||||
|
||||
d = operator['V#ln'](D)
|
||||
a = np.matmul(V,np.einsum('ij,ikj->ijk',d,V))
|
||||
|
||||
return {
|
||||
'data' : a,
|
||||
'label' : 'ln(V)({})'.format(defgrad['label']),
|
||||
'meta' : {
|
||||
'Unit' : defgrad['meta']['Unit'],
|
||||
'Description' : 'Strain tensor ln(V){} ({})'.format(defgrad['label'],defgrad['meta']['Description']),
|
||||
'Creator' : 'dadf5.py:add_deviator v{}'.format(version)
|
||||
return {
|
||||
'data': mechanics.strain_tensor(F['data'],t,m),
|
||||
'label': 'epsilon_{}^{}({})'.format(t,m,F['label']),
|
||||
'meta': {
|
||||
'Unit': F['meta']['Unit'],
|
||||
'Description': 'Strain tensor of {} ({})'.format(F['label'],F['meta']['Description']),
|
||||
'Creator': 'dadf5.py:add_strain_tensor v{}'.format(version)
|
||||
}
|
||||
}
|
||||
|
||||
requested = [{'label':defgrad,'arg':'defgrad'}]
|
||||
requested = [{'label':F,'arg':'F'}]
|
||||
|
||||
self.__add_generic_pointwise(strain_tensor,requested,{'t':t,'ord':ord})
|
||||
self.__add_generic_pointwise(__add_strain_tensor,requested,{'t':t,'m':m})
|
||||
|
||||
|
||||
def __add_generic_pointwise(self,func,datasets_requested,extra_args={}):
|
||||
|
|
@ -621,12 +793,12 @@ class DADF5():
|
|||
|
||||
Parameters
|
||||
----------
|
||||
func : function
|
||||
Function that calculates a new dataset from one or more datasets per HDF5 group.
|
||||
datasets_requested : list of dictionaries
|
||||
Details of the datasets to be used: label (in HDF5 file) and arg (argument to which the data is parsed in func).
|
||||
extra_args : dictionary, optional
|
||||
Any extra arguments parsed to func.
|
||||
func : function
|
||||
Function that calculates a new dataset from one or more datasets per HDF5 group.
|
||||
datasets_requested : list of dictionaries
|
||||
Details of the datasets to be used: label (in HDF5 file) and arg (argument to which the data is parsed in func).
|
||||
extra_args : dictionary, optional
|
||||
Any extra arguments parsed to func.
|
||||
|
||||
"""
|
||||
def job(args):
|
||||
|
|
@ -643,12 +815,12 @@ class DADF5():
|
|||
todo = []
|
||||
# ToDo: It would be more memory efficient to read only from file when required, i.e. do to it in pool.add_task
|
||||
for group in self.groups_with_datasets([d['label'] for d in datasets_requested]):
|
||||
with h5py.File(self.filename,'r') as f:
|
||||
with h5py.File(self.fname,'r') as f:
|
||||
datasets_in = {}
|
||||
for d in datasets_requested:
|
||||
loc = f[group+'/'+d['label']]
|
||||
data = loc[()]
|
||||
meta = {k:loc.attrs[k] for k in loc.attrs.keys()}
|
||||
meta = {k:loc.attrs[k].decode() for k in loc.attrs.keys()}
|
||||
datasets_in[d['arg']] = {'data': data, 'meta' : meta, 'label' : d['label']}
|
||||
|
||||
todo.append({'in':{**datasets_in,**extra_args},'func':func,'group':group,'results':results})
|
||||
|
|
@ -658,10 +830,10 @@ class DADF5():
|
|||
N_not_calculated = len(todo)
|
||||
while N_not_calculated > 0:
|
||||
result = results.get()
|
||||
with h5py.File(self.filename,'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'])
|
||||
for k in result['meta'].keys():
|
||||
dataset_out.attrs[k] = result['meta'][k]
|
||||
dataset_out.attrs[k] = result['meta'][k].encode()
|
||||
N_not_calculated-=1
|
||||
|
||||
if N_added < len(todo): # add more jobs
|
||||
|
|
|
|||
|
|
@ -2,6 +2,7 @@ import os
|
|||
from io import StringIO
|
||||
|
||||
import numpy as np
|
||||
from scipy import ndimage
|
||||
import vtk
|
||||
from vtk.util import numpy_support
|
||||
|
||||
|
|
@ -10,380 +11,517 @@ from . import version
|
|||
|
||||
|
||||
class Geom():
|
||||
"""Geometry definition for grid solvers."""
|
||||
"""Geometry definition for grid solvers."""
|
||||
|
||||
def __init__(self,microstructure,size,origin=[0.0,0.0,0.0],homogenization=1,comments=[]):
|
||||
"""
|
||||
New geometry definition from array of microstructures and size.
|
||||
def __init__(self,microstructure,size,origin=[0.0,0.0,0.0],homogenization=1,comments=[]):
|
||||
"""
|
||||
New geometry definition from array of microstructures and size.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
microstructure : numpy.ndarray
|
||||
microstructure array (3D)
|
||||
size : list or numpy.ndarray
|
||||
physical size of the microstructure in meter.
|
||||
origin : list or numpy.ndarray, optional
|
||||
physical origin of the microstructure in meter.
|
||||
homogenization : integer, optional
|
||||
homogenization index.
|
||||
comments : list of str, optional
|
||||
comments lines.
|
||||
Parameters
|
||||
----------
|
||||
microstructure : numpy.ndarray
|
||||
microstructure array (3D)
|
||||
size : list or numpy.ndarray
|
||||
physical size of the microstructure in meter.
|
||||
origin : list or numpy.ndarray, optional
|
||||
physical origin of the microstructure in meter.
|
||||
homogenization : integer, optional
|
||||
homogenization index.
|
||||
comments : list of str, optional
|
||||
comments lines.
|
||||
|
||||
"""
|
||||
self.__transforms__ = \
|
||||
self.set_microstructure(microstructure)
|
||||
self.set_size(size)
|
||||
self.set_origin(origin)
|
||||
self.set_homogenization(homogenization)
|
||||
self.set_comments(comments)
|
||||
|
||||
|
||||
def __repr__(self):
|
||||
"""Basic information on geometry definition."""
|
||||
return util.srepr([
|
||||
'grid a b c: {}'.format(' x '.join(map(str,self.get_grid ()))),
|
||||
'size x y z: {}'.format(' x '.join(map(str,self.get_size ()))),
|
||||
'origin x y z: {}'.format(' '.join(map(str,self.get_origin()))),
|
||||
'homogenization: {}'.format(self.get_homogenization()),
|
||||
'# microstructures: {}'.format(len(np.unique(self.microstructure))),
|
||||
'max microstructure: {}'.format(np.nanmax(self.microstructure)),
|
||||
])
|
||||
|
||||
def update(self,microstructure=None,size=None,origin=None,rescale=False):
|
||||
"""
|
||||
Updates microstructure and size.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
microstructure : numpy.ndarray, optional
|
||||
microstructure array (3D).
|
||||
size : list or numpy.ndarray, optional
|
||||
physical size of the microstructure in meter.
|
||||
origin : list or numpy.ndarray, optional
|
||||
physical origin of the microstructure in meter.
|
||||
rescale : bool, optional
|
||||
ignore size parameter and rescale according to change of grid points.
|
||||
|
||||
"""
|
||||
grid_old = self.get_grid()
|
||||
size_old = self.get_size()
|
||||
origin_old = self.get_origin()
|
||||
unique_old = len(np.unique(self.microstructure))
|
||||
max_old = np.nanmax(self.microstructure)
|
||||
|
||||
if size is not None and rescale:
|
||||
raise ValueError('Either set size explicitly or rescale automatically')
|
||||
|
||||
self.set_microstructure(microstructure)
|
||||
self.set_origin(origin)
|
||||
|
||||
if size is not None:
|
||||
self.set_size(size)
|
||||
elif rescale:
|
||||
self.set_size(self.get_grid()/grid_old*self.size)
|
||||
|
||||
message = ['grid a b c: {}'.format(' x '.join(map(str,grid_old)))]
|
||||
if np.any(grid_old != self.get_grid()):
|
||||
message[-1] = util.delete(message[-1])
|
||||
message.append(util.emph('grid a b c: {}'.format(' x '.join(map(str,self.get_grid())))))
|
||||
|
||||
message.append('size x y z: {}'.format(' x '.join(map(str,size_old))))
|
||||
if np.any(size_old != self.get_size()):
|
||||
message[-1] = util.delete(message[-1])
|
||||
message.append(util.emph('size x y z: {}'.format(' x '.join(map(str,self.get_size())))))
|
||||
|
||||
message.append('origin x y z: {}'.format(' '.join(map(str,origin_old))))
|
||||
if np.any(origin_old != self.get_origin()):
|
||||
message[-1] = util.delete(message[-1])
|
||||
message.append(util.emph('origin x y z: {}'.format(' '.join(map(str,self.get_origin())))))
|
||||
|
||||
message.append('homogenization: {}'.format(self.get_homogenization()))
|
||||
|
||||
message.append('# microstructures: {}'.format(unique_old))
|
||||
if unique_old != len(np.unique(self.microstructure)):
|
||||
message[-1] = util.delete(message[-1])
|
||||
message.append(util.emph('# microstructures: {}'.format(len(np.unique(self.microstructure)))))
|
||||
|
||||
message.append('max microstructure: {}'.format(max_old))
|
||||
if max_old != np.nanmax(self.microstructure):
|
||||
message[-1] = util.delete(message[-1])
|
||||
message.append(util.emph('max microstructure: {}'.format(np.nanmax(self.microstructure))))
|
||||
|
||||
return util.return_message(message)
|
||||
|
||||
def set_comments(self,comments):
|
||||
"""
|
||||
Replaces all existing comments.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
comments : list of str
|
||||
new comments.
|
||||
|
||||
"""
|
||||
self.comments = []
|
||||
self.add_comments(comments)
|
||||
|
||||
def add_comments(self,comments):
|
||||
"""
|
||||
Appends comments to existing comments.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
comments : list of str
|
||||
new comments.
|
||||
|
||||
"""
|
||||
self.comments += [str(c) for c in comments] if isinstance(comments,list) else [str(comments)]
|
||||
|
||||
def set_microstructure(self,microstructure):
|
||||
"""
|
||||
Replaces the existing microstructure representation.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
microstructure : numpy.ndarray
|
||||
microstructure array (3D).
|
||||
|
||||
"""
|
||||
if microstructure is not None:
|
||||
if len(microstructure.shape) != 3:
|
||||
raise ValueError('Invalid microstructure shape {}'.format(*microstructure.shape))
|
||||
elif microstructure.dtype not in np.sctypes['float'] + np.sctypes['int']:
|
||||
raise TypeError('Invalid data type {} for microstructure'.format(microstructure.dtype))
|
||||
else:
|
||||
self.microstructure = np.copy(microstructure)
|
||||
|
||||
def set_size(self,size):
|
||||
"""
|
||||
Replaces the existing size information.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
size : list or numpy.ndarray
|
||||
physical size of the microstructure in meter.
|
||||
|
||||
"""
|
||||
if size is None:
|
||||
grid = np.asarray(self.microstructure.shape)
|
||||
self.size = grid/np.max(grid)
|
||||
else:
|
||||
if len(size) != 3 or any(np.array(size)<=0):
|
||||
raise ValueError('Invalid size {}'.format(*size))
|
||||
else:
|
||||
self.size = np.array(size)
|
||||
|
||||
def set_origin(self,origin):
|
||||
"""
|
||||
Replaces the existing origin information.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
origin : list or numpy.ndarray
|
||||
physical origin of the microstructure in meter
|
||||
|
||||
"""
|
||||
if origin is not None:
|
||||
if len(origin) != 3:
|
||||
raise ValueError('Invalid origin {}'.format(*origin))
|
||||
else:
|
||||
self.origin = np.array(origin)
|
||||
|
||||
def set_homogenization(self,homogenization):
|
||||
"""
|
||||
Replaces the existing homogenization index.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
homogenization : integer
|
||||
homogenization index
|
||||
|
||||
"""
|
||||
if homogenization is not None:
|
||||
if not isinstance(homogenization,int) or homogenization < 1:
|
||||
raise TypeError('Invalid homogenization {}'.format(homogenization))
|
||||
else:
|
||||
self.homogenization = homogenization
|
||||
|
||||
|
||||
def get_microstructure(self):
|
||||
"""Return the microstructure representation."""
|
||||
return np.copy(self.microstructure)
|
||||
|
||||
def get_size(self):
|
||||
"""Return the physical size in meter."""
|
||||
return np.copy(self.size)
|
||||
|
||||
def get_origin(self):
|
||||
"""Return the origin in meter."""
|
||||
return np.copy(self.origin)
|
||||
|
||||
def get_grid(self):
|
||||
"""Return the grid discretization."""
|
||||
return np.array(self.microstructure.shape)
|
||||
|
||||
def get_homogenization(self):
|
||||
"""Return the homogenization index."""
|
||||
return self.homogenization
|
||||
|
||||
def get_comments(self):
|
||||
"""Return the comments."""
|
||||
return self.comments[:]
|
||||
|
||||
def get_header(self):
|
||||
"""Return the full header (grid, size, origin, homogenization, comments)."""
|
||||
header = ['{} header'.format(len(self.comments)+4)] + self.comments
|
||||
header.append('grid a {} b {} c {}'.format(*self.get_grid()))
|
||||
header.append('size x {} y {} z {}'.format(*self.get_size()))
|
||||
header.append('origin x {} y {} z {}'.format(*self.get_origin()))
|
||||
header.append('homogenization {}'.format(self.get_homogenization()))
|
||||
return header
|
||||
"""
|
||||
self.set_microstructure(microstructure)
|
||||
self.set_size(size)
|
||||
self.set_origin(origin)
|
||||
self.set_homogenization(homogenization)
|
||||
self.set_comments(comments)
|
||||
|
||||
@classmethod
|
||||
def from_file(cls,fname):
|
||||
"""
|
||||
Reads a geom file.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : str or file handle
|
||||
geometry file to read.
|
||||
def __repr__(self):
|
||||
"""Basic information on geometry definition."""
|
||||
return util.srepr([
|
||||
'grid a b c: {}'.format(' x '.join(map(str,self.get_grid ()))),
|
||||
'size x y z: {}'.format(' x '.join(map(str,self.get_size ()))),
|
||||
'origin x y z: {}'.format(' '.join(map(str,self.get_origin()))),
|
||||
'homogenization: {}'.format(self.get_homogenization()),
|
||||
'# microstructures: {}'.format(len(np.unique(self.microstructure))),
|
||||
'max microstructure: {}'.format(np.nanmax(self.microstructure)),
|
||||
])
|
||||
|
||||
"""
|
||||
with (open(fname) if isinstance(fname,str) else fname) as f:
|
||||
f.seek(0)
|
||||
header_length,keyword = f.readline().split()[:2]
|
||||
header_length = int(header_length)
|
||||
content = f.readlines()
|
||||
def update(self,microstructure=None,size=None,origin=None,rescale=False):
|
||||
"""
|
||||
Updates microstructure and size.
|
||||
|
||||
if not keyword.startswith('head') or header_length < 3:
|
||||
raise TypeError('Header length information missing or invalid')
|
||||
Parameters
|
||||
----------
|
||||
microstructure : numpy.ndarray, optional
|
||||
microstructure array (3D).
|
||||
size : list or numpy.ndarray, optional
|
||||
physical size of the microstructure in meter.
|
||||
origin : list or numpy.ndarray, optional
|
||||
physical origin of the microstructure in meter.
|
||||
rescale : bool, optional
|
||||
ignore size parameter and rescale according to change of grid points.
|
||||
|
||||
comments = []
|
||||
for i,line in enumerate(content[:header_length]):
|
||||
items = line.lower().strip().split()
|
||||
key = items[0] if len(items) > 0 else ''
|
||||
if key == 'grid':
|
||||
grid = np.array([ int(dict(zip(items[1::2],items[2::2]))[i]) for i in ['a','b','c']])
|
||||
elif key == 'size':
|
||||
size = np.array([float(dict(zip(items[1::2],items[2::2]))[i]) for i in ['x','y','z']])
|
||||
elif key == 'origin':
|
||||
origin = np.array([float(dict(zip(items[1::2],items[2::2]))[i]) for i in ['x','y','z']])
|
||||
elif key == 'homogenization':
|
||||
homogenization = int(items[1])
|
||||
else:
|
||||
comments.append(line.strip())
|
||||
"""
|
||||
grid_old = self.get_grid()
|
||||
size_old = self.get_size()
|
||||
origin_old = self.get_origin()
|
||||
unique_old = len(np.unique(self.microstructure))
|
||||
max_old = np.nanmax(self.microstructure)
|
||||
|
||||
if size is not None and rescale:
|
||||
raise ValueError('Either set size explicitly or rescale automatically')
|
||||
|
||||
microstructure = np.empty(grid.prod()) # initialize as flat array
|
||||
i = 0
|
||||
for line in content[header_length:]:
|
||||
items = line.split()
|
||||
if len(items) == 3:
|
||||
if items[1].lower() == 'of':
|
||||
items = np.ones(int(items[0]))*float(items[2])
|
||||
elif items[1].lower() == 'to':
|
||||
items = np.linspace(int(items[0]),int(items[2]),
|
||||
abs(int(items[2])-int(items[0]))+1,dtype=float)
|
||||
else: items = list(map(float,items))
|
||||
else: items = list(map(float,items))
|
||||
self.set_microstructure(microstructure)
|
||||
self.set_origin(origin)
|
||||
|
||||
if size is not None:
|
||||
self.set_size(size)
|
||||
elif rescale:
|
||||
self.set_size(self.get_grid()/grid_old*self.size)
|
||||
|
||||
message = ['grid a b c: {}'.format(' x '.join(map(str,grid_old)))]
|
||||
if np.any(grid_old != self.get_grid()):
|
||||
message[-1] = util.delete(message[-1])
|
||||
message.append(util.emph('grid a b c: {}'.format(' x '.join(map(str,self.get_grid())))))
|
||||
|
||||
message.append('size x y z: {}'.format(' x '.join(map(str,size_old))))
|
||||
if np.any(size_old != self.get_size()):
|
||||
message[-1] = util.delete(message[-1])
|
||||
message.append(util.emph('size x y z: {}'.format(' x '.join(map(str,self.get_size())))))
|
||||
|
||||
message.append('origin x y z: {}'.format(' '.join(map(str,origin_old))))
|
||||
if np.any(origin_old != self.get_origin()):
|
||||
message[-1] = util.delete(message[-1])
|
||||
message.append(util.emph('origin x y z: {}'.format(' '.join(map(str,self.get_origin())))))
|
||||
|
||||
message.append('homogenization: {}'.format(self.get_homogenization()))
|
||||
|
||||
message.append('# microstructures: {}'.format(unique_old))
|
||||
if unique_old != len(np.unique(self.microstructure)):
|
||||
message[-1] = util.delete(message[-1])
|
||||
message.append(util.emph('# microstructures: {}'.format(len(np.unique(self.microstructure)))))
|
||||
|
||||
message.append('max microstructure: {}'.format(max_old))
|
||||
if max_old != np.nanmax(self.microstructure):
|
||||
message[-1] = util.delete(message[-1])
|
||||
message.append(util.emph('max microstructure: {}'.format(np.nanmax(self.microstructure))))
|
||||
|
||||
return util.return_message(message)
|
||||
|
||||
def set_comments(self,comments):
|
||||
"""
|
||||
Replaces all existing comments.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
comments : list of str
|
||||
new comments.
|
||||
|
||||
"""
|
||||
self.comments = []
|
||||
self.add_comments(comments)
|
||||
|
||||
microstructure[i:i+len(items)] = items
|
||||
i += len(items)
|
||||
def add_comments(self,comments):
|
||||
"""
|
||||
Appends comments to existing comments.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
comments : list of str
|
||||
new comments.
|
||||
|
||||
"""
|
||||
self.comments += [str(c) for c in comments] if isinstance(comments,list) else [str(comments)]
|
||||
|
||||
def set_microstructure(self,microstructure):
|
||||
"""
|
||||
Replaces the existing microstructure representation.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
microstructure : numpy.ndarray
|
||||
microstructure array (3D).
|
||||
|
||||
"""
|
||||
if microstructure is not None:
|
||||
if len(microstructure.shape) != 3:
|
||||
raise ValueError('Invalid microstructure shape {}'.format(*microstructure.shape))
|
||||
elif microstructure.dtype not in np.sctypes['float'] + np.sctypes['int']:
|
||||
raise TypeError('Invalid data type {} for microstructure'.format(microstructure.dtype))
|
||||
else:
|
||||
self.microstructure = np.copy(microstructure)
|
||||
|
||||
def set_size(self,size):
|
||||
"""
|
||||
Replaces the existing size information.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
size : list or numpy.ndarray
|
||||
physical size of the microstructure in meter.
|
||||
|
||||
"""
|
||||
if size is None:
|
||||
grid = np.asarray(self.microstructure.shape)
|
||||
self.size = grid/np.max(grid)
|
||||
else:
|
||||
if len(size) != 3 or any(np.array(size)<=0):
|
||||
raise ValueError('Invalid size {}'.format(*size))
|
||||
else:
|
||||
self.size = np.array(size)
|
||||
|
||||
def set_origin(self,origin):
|
||||
"""
|
||||
Replaces the existing origin information.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
origin : list or numpy.ndarray
|
||||
physical origin of the microstructure in meter
|
||||
|
||||
"""
|
||||
if origin is not None:
|
||||
if len(origin) != 3:
|
||||
raise ValueError('Invalid origin {}'.format(*origin))
|
||||
else:
|
||||
self.origin = np.array(origin)
|
||||
|
||||
def set_homogenization(self,homogenization):
|
||||
"""
|
||||
Replaces the existing homogenization index.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
homogenization : integer
|
||||
homogenization index
|
||||
|
||||
"""
|
||||
if homogenization is not None:
|
||||
if not isinstance(homogenization,int) or homogenization < 1:
|
||||
raise TypeError('Invalid homogenization {}'.format(homogenization))
|
||||
else:
|
||||
self.homogenization = homogenization
|
||||
|
||||
|
||||
def get_microstructure(self):
|
||||
"""Return the microstructure representation."""
|
||||
return np.copy(self.microstructure)
|
||||
|
||||
def get_size(self):
|
||||
"""Return the physical size in meter."""
|
||||
return np.copy(self.size)
|
||||
|
||||
def get_origin(self):
|
||||
"""Return the origin in meter."""
|
||||
return np.copy(self.origin)
|
||||
|
||||
def get_grid(self):
|
||||
"""Return the grid discretization."""
|
||||
return np.array(self.microstructure.shape)
|
||||
|
||||
def get_homogenization(self):
|
||||
"""Return the homogenization index."""
|
||||
return self.homogenization
|
||||
|
||||
def get_comments(self):
|
||||
"""Return the comments."""
|
||||
return self.comments[:]
|
||||
|
||||
def get_header(self):
|
||||
"""Return the full header (grid, size, origin, homogenization, comments)."""
|
||||
header = ['{} header'.format(len(self.comments)+4)] + self.comments
|
||||
header.append('grid a {} b {} c {}'.format(*self.get_grid()))
|
||||
header.append('size x {} y {} z {}'.format(*self.get_size()))
|
||||
header.append('origin x {} y {} z {}'.format(*self.get_origin()))
|
||||
header.append('homogenization {}'.format(self.get_homogenization()))
|
||||
return header
|
||||
|
||||
@staticmethod
|
||||
def from_file(fname):
|
||||
"""
|
||||
Reads a geom file.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : str or file handle
|
||||
geometry file to read.
|
||||
|
||||
"""
|
||||
try:
|
||||
f = open(fname)
|
||||
except TypeError:
|
||||
f = fname
|
||||
|
||||
f.seek(0)
|
||||
header_length,keyword = f.readline().split()[:2]
|
||||
header_length = int(header_length)
|
||||
content = f.readlines()
|
||||
|
||||
if not keyword.startswith('head') or header_length < 3:
|
||||
raise TypeError('Header length information missing or invalid')
|
||||
|
||||
comments = []
|
||||
for i,line in enumerate(content[:header_length]):
|
||||
items = line.lower().strip().split()
|
||||
key = items[0] if len(items) > 0 else ''
|
||||
if key == 'grid':
|
||||
grid = np.array([ int(dict(zip(items[1::2],items[2::2]))[i]) for i in ['a','b','c']])
|
||||
elif key == 'size':
|
||||
size = np.array([float(dict(zip(items[1::2],items[2::2]))[i]) for i in ['x','y','z']])
|
||||
elif key == 'origin':
|
||||
origin = np.array([float(dict(zip(items[1::2],items[2::2]))[i]) for i in ['x','y','z']])
|
||||
elif key == 'homogenization':
|
||||
homogenization = int(items[1])
|
||||
else:
|
||||
comments.append(line.strip())
|
||||
|
||||
microstructure = np.empty(grid.prod()) # initialize as flat array
|
||||
i = 0
|
||||
for line in content[header_length:]:
|
||||
items = line.split()
|
||||
if len(items) == 3:
|
||||
if items[1].lower() == 'of':
|
||||
items = np.ones(int(items[0]))*float(items[2])
|
||||
elif items[1].lower() == 'to':
|
||||
items = np.linspace(int(items[0]),int(items[2]),
|
||||
abs(int(items[2])-int(items[0]))+1,dtype=float)
|
||||
else: items = list(map(float,items))
|
||||
else: items = list(map(float,items))
|
||||
microstructure[i:i+len(items)] = items
|
||||
i += len(items)
|
||||
|
||||
if i != grid.prod():
|
||||
raise TypeError('Invalid file: expected {} entries,found {}'.format(grid.prod(),i))
|
||||
|
||||
microstructure = microstructure.reshape(grid,order='F')
|
||||
if not np.any(np.mod(microstructure.flatten(),1) != 0.0): # no float present
|
||||
microstructure = microstructure.astype('int')
|
||||
|
||||
return Geom(microstructure.reshape(grid),size,origin,homogenization,comments)
|
||||
|
||||
|
||||
def to_file(self,fname,pack=None):
|
||||
"""
|
||||
Writes a geom file.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : str or file handle
|
||||
geometry file to write.
|
||||
pack : bool, optional
|
||||
compress geometry with 'x of y' and 'a to b'.
|
||||
|
||||
"""
|
||||
header = self.get_header()
|
||||
grid = self.get_grid()
|
||||
|
||||
if pack is None:
|
||||
plain = grid.prod()/np.unique(self.microstructure).size < 250
|
||||
else:
|
||||
plain = not pack
|
||||
|
||||
if plain:
|
||||
format_string = '%g' if self.microstructure.dtype in np.sctypes['float'] else \
|
||||
'%{}i'.format(1+int(np.floor(np.log10(np.nanmax(self.microstructure)))))
|
||||
np.savetxt(fname,
|
||||
self.microstructure.reshape([grid[0],np.prod(grid[1:])],order='F').T,
|
||||
header='\n'.join(header), fmt=format_string, comments='')
|
||||
else:
|
||||
try:
|
||||
f = open(fname,'w')
|
||||
except TypeError:
|
||||
f = fname
|
||||
|
||||
compressType = None
|
||||
former = start = -1
|
||||
reps = 0
|
||||
for current in self.microstructure.flatten('F'):
|
||||
if abs(current - former) == 1 and (start - current) == reps*(former - current):
|
||||
compressType = 'to'
|
||||
reps += 1
|
||||
elif current == former and start == former:
|
||||
compressType = 'of'
|
||||
reps += 1
|
||||
else:
|
||||
if compressType is None:
|
||||
f.write('\n'.join(self.get_header())+'\n')
|
||||
elif compressType == '.':
|
||||
f.write('{}\n'.format(former))
|
||||
elif compressType == 'to':
|
||||
f.write('{} to {}\n'.format(start,former))
|
||||
elif compressType == 'of':
|
||||
f.write('{} of {}\n'.format(reps,former))
|
||||
|
||||
compressType = '.'
|
||||
start = current
|
||||
reps = 1
|
||||
|
||||
former = current
|
||||
|
||||
if compressType == '.':
|
||||
f.write('{}\n'.format(former))
|
||||
elif compressType == 'to':
|
||||
f.write('{} to {}\n'.format(start,former))
|
||||
elif compressType == 'of':
|
||||
f.write('{} of {}\n'.format(reps,former))
|
||||
|
||||
|
||||
def to_vtk(self,fname=None):
|
||||
"""
|
||||
Generates vtk file.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : str, optional
|
||||
vtk file to write. If no file is given, a string is returned.
|
||||
|
||||
"""
|
||||
grid = self.get_grid() + np.ones(3,dtype=int)
|
||||
size = self.get_size()
|
||||
origin = self.get_origin()
|
||||
|
||||
coords = [
|
||||
np.linspace(0,size[0],grid[0]) + origin[0],
|
||||
np.linspace(0,size[1],grid[1]) + origin[1],
|
||||
np.linspace(0,size[2],grid[2]) + origin[2]
|
||||
]
|
||||
|
||||
rGrid = vtk.vtkRectilinearGrid()
|
||||
coordArray = [vtk.vtkDoubleArray(),vtk.vtkDoubleArray(),vtk.vtkDoubleArray()]
|
||||
|
||||
rGrid.SetDimensions(*grid)
|
||||
for d,coord in enumerate(coords):
|
||||
for c in coord:
|
||||
coordArray[d].InsertNextValue(c)
|
||||
|
||||
rGrid.SetXCoordinates(coordArray[0])
|
||||
rGrid.SetYCoordinates(coordArray[1])
|
||||
rGrid.SetZCoordinates(coordArray[2])
|
||||
|
||||
ms = numpy_support.numpy_to_vtk(num_array=self.microstructure.flatten(order='F'),
|
||||
array_type=vtk.VTK_INT if self.microstructure.dtype == int else vtk.VTK_FLOAT)
|
||||
ms.SetName('microstructure')
|
||||
rGrid.GetCellData().AddArray(ms)
|
||||
|
||||
|
||||
if fname is None:
|
||||
writer = vtk.vtkDataSetWriter()
|
||||
writer.SetHeader('damask.Geom '+version)
|
||||
writer.WriteToOutputStringOn()
|
||||
else:
|
||||
writer = vtk.vtkXMLRectilinearGridWriter()
|
||||
writer.SetCompressorTypeToZLib()
|
||||
writer.SetDataModeToBinary()
|
||||
|
||||
ext = os.path.splitext(fname)[1]
|
||||
if ext == '':
|
||||
name = fname + '.' + writer.GetDefaultFileExtension()
|
||||
elif ext == writer.GetDefaultFileExtension():
|
||||
name = fname
|
||||
else:
|
||||
raise ValueError("unknown extension {}".format(ext))
|
||||
writer.SetFileName(name)
|
||||
|
||||
if i != grid.prod():
|
||||
raise TypeError('Invalid file: expected {} entries,found {}'.format(grid.prod(),i))
|
||||
|
||||
microstructure = microstructure.reshape(grid,order='F')
|
||||
if not np.any(np.mod(microstructure.flatten(),1) != 0.0): # no float present
|
||||
microstructure = microstructure.astype('int')
|
||||
|
||||
return cls(microstructure.reshape(grid),size,origin,homogenization,comments)
|
||||
writer.SetInputData(rGrid)
|
||||
writer.Write()
|
||||
|
||||
def to_file(self,fname):
|
||||
"""
|
||||
Writes a geom file.
|
||||
if fname is None: return writer.GetOutputString()
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : str or file handle
|
||||
geometry file to write.
|
||||
|
||||
"""
|
||||
header = self.get_header()
|
||||
grid = self.get_grid()
|
||||
format_string = '%{}i'.format(1+int(np.floor(np.log10(np.nanmax(self.microstructure))))) if self.microstructure.dtype == int \
|
||||
else '%g'
|
||||
np.savetxt(fname,
|
||||
self.microstructure.reshape([grid[0],np.prod(grid[1:])],order='F').T,
|
||||
header='\n'.join(header), fmt=format_string, comments='')
|
||||
|
||||
def show(self):
|
||||
"""Show raw content (as in file)."""
|
||||
f=StringIO()
|
||||
self.to_file(f)
|
||||
f.seek(0)
|
||||
return ''.join(f.readlines())
|
||||
|
||||
|
||||
|
||||
def to_vtk(self,fname=None):
|
||||
"""
|
||||
Generates vtk file.
|
||||
def mirror(self,directions,reflect=False):
|
||||
"""
|
||||
Mirror microstructure along given directions.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : str, optional
|
||||
vtk file to write. If no file is given, a string is returned.
|
||||
Parameters
|
||||
----------
|
||||
directions : iterable containing str
|
||||
direction(s) along which the microstructure is mirrored. Valid entries are 'x', 'y', 'z'.
|
||||
reflect : bool, optional
|
||||
reflect (include) outermost layers.
|
||||
|
||||
"""
|
||||
grid = self.get_grid() + np.ones(3,dtype=int)
|
||||
size = self.get_size()
|
||||
origin = self.get_origin()
|
||||
"""
|
||||
valid = {'x','y','z'}
|
||||
if not all(isinstance(d, str) for d in directions):
|
||||
raise TypeError('Directions are not of type str.')
|
||||
elif not set(directions).issubset(valid):
|
||||
raise ValueError('Invalid direction specified {}'.format(*set(directions).difference(valid)))
|
||||
|
||||
coords = [
|
||||
np.linspace(0,size[0],grid[0]) + origin[0],
|
||||
np.linspace(0,size[1],grid[1]) + origin[1],
|
||||
np.linspace(0,size[2],grid[2]) + origin[2]
|
||||
]
|
||||
|
||||
rGrid = vtk.vtkRectilinearGrid()
|
||||
coordArray = [vtk.vtkDoubleArray(),vtk.vtkDoubleArray(),vtk.vtkDoubleArray()]
|
||||
limits = [None,None] if reflect else [-2,0]
|
||||
ms = self.get_microstructure()
|
||||
|
||||
rGrid.SetDimensions(*grid)
|
||||
for d,coord in enumerate(coords):
|
||||
for c in coord:
|
||||
coordArray[d].InsertNextValue(c)
|
||||
|
||||
rGrid.SetXCoordinates(coordArray[0])
|
||||
rGrid.SetYCoordinates(coordArray[1])
|
||||
rGrid.SetZCoordinates(coordArray[2])
|
||||
|
||||
ms = numpy_support.numpy_to_vtk(num_array=self.microstructure.flatten(order='F'),
|
||||
array_type=vtk.VTK_INT if self.microstructure.dtype == int else vtk.VTK_FLOAT)
|
||||
ms.SetName('microstructure')
|
||||
rGrid.GetCellData().AddArray(ms)
|
||||
if 'z' in directions:
|
||||
ms = np.concatenate([ms,ms[:,:,limits[0]:limits[1]:-1]],2)
|
||||
if 'y' in directions:
|
||||
ms = np.concatenate([ms,ms[:,limits[0]:limits[1]:-1,:]],1)
|
||||
if 'x' in directions:
|
||||
ms = np.concatenate([ms,ms[limits[0]:limits[1]:-1,:,:]],0)
|
||||
|
||||
return self.update(ms,rescale=True)
|
||||
#self.add_comments('tbd')
|
||||
|
||||
|
||||
if fname is None:
|
||||
writer = vtk.vtkDataSetWriter()
|
||||
writer.SetHeader('damask.Geom '+version)
|
||||
writer.WriteToOutputStringOn()
|
||||
else:
|
||||
writer = vtk.vtkXMLRectilinearGridWriter()
|
||||
writer.SetCompressorTypeToZLib()
|
||||
writer.SetDataModeToBinary()
|
||||
|
||||
ext = os.path.splitext(fname)[1]
|
||||
if ext == '':
|
||||
name = fname + '.' + writer.GetDefaultFileExtension()
|
||||
elif ext == writer.GetDefaultFileExtension():
|
||||
name = fname
|
||||
else:
|
||||
raise ValueError("unknown extension {}".format(ext))
|
||||
writer.SetFileName(name)
|
||||
|
||||
writer.SetInputData(rGrid)
|
||||
writer.Write()
|
||||
def scale(self,grid):
|
||||
"""
|
||||
Scale microstructure to new grid.
|
||||
|
||||
if fname is None: return writer.GetOutputString()
|
||||
Parameters
|
||||
----------
|
||||
grid : iterable of int
|
||||
new grid dimension
|
||||
|
||||
|
||||
def show(self):
|
||||
"""Show raw content (as in file)."""
|
||||
f=StringIO()
|
||||
self.to_file(f)
|
||||
f.seek(0)
|
||||
return ''.join(f.readlines())
|
||||
"""
|
||||
return self.update(
|
||||
ndimage.interpolation.zoom(
|
||||
self.microstructure,
|
||||
grid/self.get_grid(),
|
||||
output=self.microstructure.dtype,
|
||||
order=0,
|
||||
mode='nearest',
|
||||
prefilter=False
|
||||
)
|
||||
)
|
||||
#self.add_comments('tbd')
|
||||
|
||||
|
||||
def clean(self,stencil=3):
|
||||
"""
|
||||
Smooth microstructure by selecting most frequent index within given stencil at each location.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
stencil : int, optional
|
||||
size of smoothing stencil.
|
||||
|
||||
"""
|
||||
def mostFrequent(arr):
|
||||
unique, inverse = np.unique(arr, return_inverse=True)
|
||||
return unique[np.argmax(np.bincount(inverse))]
|
||||
|
||||
return self.update(ndimage.filters.generic_filter(
|
||||
self.microstructure,
|
||||
mostFrequent,
|
||||
size=(stencil,)*3
|
||||
).astype(self.microstructure.dtype)
|
||||
)
|
||||
#self.add_comments('tbd')
|
||||
|
||||
|
||||
def renumber(self):
|
||||
"""Renumber sorted microstructure indices to 1,...,N."""
|
||||
renumbered = np.empty(self.get_grid(),dtype=self.microstructure.dtype)
|
||||
for i, oldID in enumerate(np.unique(self.microstructure)):
|
||||
renumbered = np.where(self.microstructure == oldID, i+1, renumbered)
|
||||
|
||||
return self.update(renumbered)
|
||||
#self.add_comments('tbd')
|
||||
|
|
|
|||
|
|
@ -0,0 +1,266 @@
|
|||
import numpy as np
|
||||
|
||||
def Cauchy(F,P):
|
||||
"""
|
||||
Return Cauchy stress calculated from 1. Piola-Kirchhoff stress and deformation gradient.
|
||||
|
||||
Resulting tensor is symmetrized as the Cauchy stress needs to be symmetric.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
F : numpy.array of shape (:,3,3) or (3,3)
|
||||
Deformation gradient.
|
||||
P : numpy.array of shape (:,3,3) or (3,3)
|
||||
1. Piola-Kirchhoff stress.
|
||||
|
||||
"""
|
||||
if np.shape(F) == np.shape(P) == (3,3):
|
||||
sigma = 1.0/np.linalg.det(F) * np.dot(P,F.T)
|
||||
else:
|
||||
sigma = np.einsum('i,ijk,ilk->ijl',1.0/np.linalg.det(F),P,F)
|
||||
return symmetric(sigma)
|
||||
|
||||
|
||||
def PK2(F,P):
|
||||
"""
|
||||
Return 2. Piola-Kirchhoff stress calculated from 1. Piola-Kirchhoff stress and deformation gradient.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
F : numpy.array of shape (:,3,3) or (3,3)
|
||||
Deformation gradient.
|
||||
P : numpy.array of shape (:,3,3) or (3,3)
|
||||
1. Piola-Kirchhoff stress.
|
||||
|
||||
"""
|
||||
if np.shape(F) == np.shape(P) == (3,3):
|
||||
S = np.dot(np.linalg.inv(F),P)
|
||||
else:
|
||||
S = np.einsum('ijk,ikl->ijl',np.linalg.inv(F),P)
|
||||
return S
|
||||
|
||||
|
||||
def strain_tensor(F,t,m):
|
||||
"""
|
||||
Return strain tensor calculated from deformation gradient.
|
||||
|
||||
For details refer to https://en.wikipedia.org/wiki/Finite_strain_theory and
|
||||
https://de.wikipedia.org/wiki/Verzerrungstensor
|
||||
|
||||
Parameters
|
||||
----------
|
||||
F : numpy.array of shape (:,3,3) or (3,3)
|
||||
Deformation gradient.
|
||||
t : {‘V’, ‘U’}
|
||||
Type of the polar decomposition, ‘V’ for left stretch tensor and ‘U’ for right stretch tensor.
|
||||
m : float
|
||||
Order of the strain.
|
||||
|
||||
"""
|
||||
F_ = F.reshape((1,3,3)) if F.shape == (3,3) else F
|
||||
if t == 'U':
|
||||
B = np.matmul(F_,transpose(F_))
|
||||
w,n = np.linalg.eigh(B)
|
||||
elif t == 'V':
|
||||
C = np.matmul(transpose(F_),F_)
|
||||
w,n = np.linalg.eigh(C)
|
||||
|
||||
if m > 0.0:
|
||||
eps = 1.0/(2.0*abs(m)) * (+ np.matmul(n,np.einsum('ij,ikj->ijk',w**m,n))
|
||||
- np.broadcast_to(np.eye(3),[F_.shape[0],3,3]))
|
||||
elif m < 0.0:
|
||||
eps = 1.0/(2.0*abs(m)) * (- np.matmul(n,np.einsum('ij,ikj->ijk',w**m,n))
|
||||
+ np.broadcast_to(np.eye(3),[F_.shape[0],3,3]))
|
||||
else:
|
||||
eps = np.matmul(n,np.einsum('ij,ikj->ijk',0.5*np.log(w),n))
|
||||
|
||||
return eps.reshape((3,3)) if np.shape(F) == (3,3) else \
|
||||
eps
|
||||
|
||||
|
||||
def deviatoric_part(x):
|
||||
"""
|
||||
Return deviatoric part of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the deviatoric part is computed.
|
||||
|
||||
"""
|
||||
return x - np.eye(3)*spherical_part(x) if np.shape(x) == (3,3) else \
|
||||
x - np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),[x.shape[0],3,3]),spherical_part(x))
|
||||
|
||||
|
||||
def spherical_part(x):
|
||||
"""
|
||||
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
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the hydrostatic part is computed.
|
||||
|
||||
"""
|
||||
return np.trace(x)/3.0 if np.shape(x) == (3,3) else \
|
||||
np.trace(x,axis1=1,axis2=2)/3.0
|
||||
|
||||
|
||||
def Mises_stress(sigma):
|
||||
"""
|
||||
Return the Mises equivalent of a stress tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
sigma : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric stress tensor of which the von Mises equivalent is computed.
|
||||
|
||||
"""
|
||||
s = deviatoric_part(sigma)
|
||||
return np.sqrt(3.0/2.0*(np.sum(s**2.0))) if np.shape(sigma) == (3,3) else \
|
||||
np.sqrt(3.0/2.0*np.einsum('ijk->i',s**2.0))
|
||||
|
||||
|
||||
def Mises_strain(epsilon):
|
||||
"""
|
||||
Return the Mises equivalent of a strain tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
epsilon : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric strain tensor of which the von Mises equivalent is computed.
|
||||
|
||||
"""
|
||||
s = deviatoric_part(epsilon)
|
||||
return np.sqrt(2.0/3.0*(np.sum(s**2.0))) if np.shape(epsilon) == (3,3) else \
|
||||
np.sqrt(2.0/3.0*np.einsum('ijk->i',s**2.0))
|
||||
|
||||
|
||||
def symmetric(x):
|
||||
"""
|
||||
Return the symmetrized tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the symmetrized values are computed.
|
||||
|
||||
"""
|
||||
return (x+transpose(x))*0.5
|
||||
|
||||
|
||||
def maximum_shear(x):
|
||||
"""
|
||||
Return the maximum shear component of a symmetric tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric tensor of which the maximum shear is computed.
|
||||
|
||||
"""
|
||||
w = np.linalg.eigvalsh(symmetric(x)) # eigenvalues in ascending order
|
||||
return (w[2] - w[0])*0.5 if np.shape(x) == (3,3) else \
|
||||
(w[:,2] - w[:,0])*0.5
|
||||
|
||||
|
||||
def principal_components(x):
|
||||
"""
|
||||
Return the principal components of a symmetric tensor.
|
||||
|
||||
The principal components (eigenvalues) are sorted in descending order, each repeated according to
|
||||
its multiplicity.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric tensor of which the principal compontents are computed.
|
||||
|
||||
"""
|
||||
w = np.linalg.eigvalsh(symmetric(x)) # eigenvalues in ascending order
|
||||
return w[::-1] if np.shape(x) == (3,3) else \
|
||||
w[:,::-1]
|
||||
|
||||
|
||||
def transpose(x):
|
||||
"""
|
||||
Return the transpose of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the transpose is computed.
|
||||
|
||||
"""
|
||||
return x.T if np.shape(x) == (3,3) else \
|
||||
np.transpose(x,(0,2,1))
|
||||
|
||||
|
||||
def rotational_part(x):
|
||||
"""
|
||||
Return the rotational part of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the rotational part is computed.
|
||||
|
||||
"""
|
||||
return __polar_decomposition(x,'R')[0]
|
||||
|
||||
|
||||
def left_stretch(x):
|
||||
"""
|
||||
Return the left stretch of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the left stretch is computed.
|
||||
|
||||
"""
|
||||
return __polar_decomposition(x,'V')[0]
|
||||
|
||||
|
||||
def right_stretch(x):
|
||||
"""
|
||||
Return the right stretch of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the right stretch is computed.
|
||||
|
||||
"""
|
||||
return __polar_decomposition(x,'U')[0]
|
||||
|
||||
|
||||
def __polar_decomposition(x,requested):
|
||||
"""
|
||||
Singular value decomposition.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the singular values are computed.
|
||||
requested : iterable of str
|
||||
Requested outputs: ‘R’ for the rotation tensor,
|
||||
‘V’ for left stretch tensor and ‘U’ for right stretch tensor.
|
||||
|
||||
"""
|
||||
u, s, vh = np.linalg.svd(x)
|
||||
R = np.dot(u,vh) if np.shape(x) == (3,3) else \
|
||||
np.einsum('ijk,ikl->ijl',u,vh)
|
||||
|
||||
output = []
|
||||
if 'R' in requested:
|
||||
output.append(R)
|
||||
if 'V' in requested:
|
||||
output.append(np.dot(x,R.T) if np.shape(x) == (3,3) else np.einsum('ijk,ilk->ijl',x,R))
|
||||
if 'U' in requested:
|
||||
output.append(np.dot(R.T,x) if np.shape(x) == (3,3) else np.einsum('ikj,ikl->ijl',R,x))
|
||||
|
||||
return tuple(output)
|
||||
|
|
@ -79,9 +79,9 @@ class Marc(Solver):
|
|||
exitnumber = -1
|
||||
fid_out = open(outFile,'r')
|
||||
for line in fid_out:
|
||||
if (string.find(line,'tress iteration') is not -1):
|
||||
if (string.find(line,'tress iteration') != -1):
|
||||
print(line)
|
||||
elif (string.find(line,'Exit number') is not -1):
|
||||
elif (string.find(line,'Exit number') != -1):
|
||||
substr = line[string.find(line,'Exit number'):len(line)]
|
||||
exitnumber = int(substr[12:16])
|
||||
|
||||
|
|
|
|||
|
|
@ -0,0 +1,257 @@
|
|||
import re
|
||||
|
||||
import pandas as pd
|
||||
import numpy as np
|
||||
|
||||
class Table():
|
||||
"""Store spreadsheet-like data."""
|
||||
|
||||
def __init__(self,data,shapes,comments=None):
|
||||
"""
|
||||
New spreadsheet.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
data : numpy.ndarray
|
||||
Data.
|
||||
shapes : dict with str:tuple pairs
|
||||
Shapes of the columns. Example 'F':(3,3) for a deformation gradient.
|
||||
comments : iterable of str, optional
|
||||
Additional, human-readable information.
|
||||
|
||||
"""
|
||||
self.comments = [] if comments is None else [c for c in comments]
|
||||
self.data = pd.DataFrame(data=data)
|
||||
self.shapes = shapes
|
||||
self.__label_condensed()
|
||||
|
||||
|
||||
def __label_flat(self):
|
||||
"""Label data individually, e.g. v v v ==> 1_v 2_v 3_v."""
|
||||
labels = []
|
||||
for label,shape in self.shapes.items():
|
||||
size = np.prod(shape)
|
||||
labels += ['{}{}'.format('' if size == 1 else '{}_'.format(i+1),label) for i in range(size)]
|
||||
self.data.columns = labels
|
||||
|
||||
|
||||
def __label_condensed(self):
|
||||
"""Label data condensed, e.g. 1_v 2_v 3_v ==> v v v."""
|
||||
labels = []
|
||||
for label,shape in self.shapes.items():
|
||||
labels += [label] * np.prod(shape)
|
||||
self.data.columns = labels
|
||||
|
||||
|
||||
def __add_comment(self,label,shape,info):
|
||||
if info is not None:
|
||||
self.comments.append('{}{}: {}'.format(label,
|
||||
' '+str(shape) if np.prod(shape,dtype=int) > 1 else '',
|
||||
info))
|
||||
|
||||
|
||||
@staticmethod
|
||||
def from_ASCII(fname):
|
||||
"""
|
||||
Create table from ASCII file.
|
||||
|
||||
The first line needs to indicate the number of subsequent header lines as 'n header'.
|
||||
Vector data column labels are indicated by '1_v, 2_v, ..., n_v'.
|
||||
Tensor data column labels are indicated by '3x3:1_T, 3x3:2_T, ..., 3x3:9_T'.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : file, str, or pathlib.Path
|
||||
Filename or file for reading.
|
||||
|
||||
"""
|
||||
try:
|
||||
f = open(fname)
|
||||
except TypeError:
|
||||
f = fname
|
||||
|
||||
header,keyword = f.readline().split()
|
||||
if keyword == 'header':
|
||||
header = int(header)
|
||||
else:
|
||||
raise Exception
|
||||
comments = [f.readline()[:-1] for i in range(1,header)]
|
||||
labels = f.readline().split()
|
||||
|
||||
shapes = {}
|
||||
for label in labels:
|
||||
tensor_column = re.search(r'[0-9,x]*?:[0-9]*?_',label)
|
||||
if tensor_column:
|
||||
my_shape = tensor_column.group().split(':',1)[0].split('x')
|
||||
shapes[label.split('_',1)[1]] = tuple([int(d) for d in my_shape])
|
||||
else:
|
||||
vector_column = re.match(r'[0-9]*?_',label)
|
||||
if vector_column:
|
||||
shapes[label.split('_',1)[1]] = (int(label.split('_',1)[0]),)
|
||||
else:
|
||||
shapes[label] = (1,)
|
||||
|
||||
data = pd.read_csv(f,names=list(range(len(labels))),sep=r'\s+').to_numpy()
|
||||
|
||||
return Table(data,shapes,comments)
|
||||
|
||||
@property
|
||||
def labels(self):
|
||||
"""Return the labels of all columns."""
|
||||
return list(self.shapes.keys())
|
||||
|
||||
|
||||
def get(self,label):
|
||||
"""
|
||||
Get column data.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
label : str
|
||||
Column label.
|
||||
|
||||
"""
|
||||
if re.match(r'[0-9]*?_',label):
|
||||
idx,key = label.split('_',1)
|
||||
data = self.data[key].to_numpy()[:,int(idx)-1].reshape((-1,1))
|
||||
else:
|
||||
data = self.data[label].to_numpy().reshape((-1,)+self.shapes[label])
|
||||
|
||||
return data.astype(type(data.flatten()[0]))
|
||||
|
||||
|
||||
def set(self,label,data,info=None):
|
||||
"""
|
||||
Set column data.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
label : str
|
||||
Column label.
|
||||
data : np.ndarray
|
||||
New data.
|
||||
info : str, optional
|
||||
Human-readable information about the new data.
|
||||
|
||||
"""
|
||||
self.__add_comment(label,data.shape[1:],info)
|
||||
|
||||
if re.match(r'[0-9]*?_',label):
|
||||
idx,key = label.split('_',1)
|
||||
iloc = self.data.columns.get_loc(key).tolist().index(True) + int(idx) -1
|
||||
self.data.iloc[:,iloc] = data
|
||||
else:
|
||||
self.data[label] = data.reshape(self.data[label].shape)
|
||||
|
||||
|
||||
def add(self,label,data,info=None):
|
||||
"""
|
||||
Add column data.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
label : str
|
||||
Column label.
|
||||
data : np.ndarray
|
||||
Modified data.
|
||||
info : str, optional
|
||||
Human-readable information about the modified data.
|
||||
|
||||
"""
|
||||
self.__add_comment(label,data.shape[1:],info)
|
||||
|
||||
self.shapes[label] = data.shape[1:] if len(data.shape) > 1 else (1,)
|
||||
size = np.prod(data.shape[1:],dtype=int)
|
||||
new = pd.DataFrame(data=data.reshape(-1,size),
|
||||
columns=[label]*size,
|
||||
)
|
||||
new.index = self.data.index
|
||||
self.data = pd.concat([self.data,new],axis=1)
|
||||
|
||||
|
||||
def delete(self,label):
|
||||
"""
|
||||
Delete column data.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
label : str
|
||||
Column label.
|
||||
|
||||
"""
|
||||
self.data.drop(columns=label,inplace=True)
|
||||
|
||||
del self.shapes[label]
|
||||
|
||||
|
||||
def rename(self,label_old,label_new,info=None):
|
||||
"""
|
||||
Rename column data.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
label_old : str
|
||||
Old column label.
|
||||
label_new : str
|
||||
New column label.
|
||||
|
||||
"""
|
||||
self.data.rename(columns={label_old:label_new},inplace=True)
|
||||
|
||||
self.comments.append('{} => {}{}'.format(label_old,
|
||||
label_new,
|
||||
'' if info is None else ': {}'.format(info),
|
||||
))
|
||||
|
||||
self.shapes[label_new] = self.shapes.pop(label_old)
|
||||
|
||||
|
||||
def sort_by(self,labels,ascending=True):
|
||||
"""
|
||||
Get column data.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
label : str or list
|
||||
Column labels.
|
||||
ascending : bool or list, optional
|
||||
Set sort order.
|
||||
|
||||
"""
|
||||
self.__label_flat()
|
||||
self.data.sort_values(labels,axis=0,inplace=True,ascending=ascending)
|
||||
self.__label_condensed()
|
||||
self.comments.append('sorted by [{}]'.format(', '.join(labels)))
|
||||
|
||||
|
||||
def to_ASCII(self,fname):
|
||||
"""
|
||||
Store as plain text file.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : file, str, or pathlib.Path
|
||||
Filename or file for reading.
|
||||
|
||||
"""
|
||||
labels = []
|
||||
for l in self.shapes:
|
||||
if(self.shapes[l] == (1,)):
|
||||
labels.append('{}'.format(l))
|
||||
elif(len(self.shapes[l]) == 1):
|
||||
labels += ['{}_{}'.format(i+1,l) \
|
||||
for i in range(self.shapes[l][0])]
|
||||
else:
|
||||
labels += ['{}:{}_{}'.format('x'.join([str(d) for d in self.shapes[l]]),i+1,l) \
|
||||
for i in range(np.prod(self.shapes[l],dtype=int))]
|
||||
|
||||
header = ['{} header'.format(len(self.comments)+1)] \
|
||||
+ self.comments \
|
||||
+ [' '.join(labels)]
|
||||
|
||||
try:
|
||||
f = open(fname,'w')
|
||||
except TypeError:
|
||||
f = fname
|
||||
for line in header: f.write(line+'\n')
|
||||
self.data.to_csv(f,sep=' ',index=False,header=False)
|
||||
|
|
@ -1,10 +1,8 @@
|
|||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,sys,shutil
|
||||
import logging,logging.config
|
||||
import damask
|
||||
import numpy as np
|
||||
from collections import Iterable
|
||||
from collections.abc import Iterable
|
||||
from optparse import OptionParser
|
||||
|
||||
class Test():
|
||||
|
|
@ -17,7 +15,7 @@ class Test():
|
|||
variants = []
|
||||
|
||||
def __init__(self, **kwargs):
|
||||
|
||||
"""New test."""
|
||||
defaults = {'description': '',
|
||||
'keep': False,
|
||||
'accept': False,
|
||||
|
|
@ -120,22 +118,22 @@ class Test():
|
|||
"""Delete directory tree containing current results."""
|
||||
try:
|
||||
shutil.rmtree(self.dirCurrent())
|
||||
except:
|
||||
except FileNotFoundError:
|
||||
logging.warning('removal of directory "{}" not possible...'.format(self.dirCurrent()))
|
||||
|
||||
try:
|
||||
os.mkdir(self.dirCurrent())
|
||||
return True
|
||||
except:
|
||||
except FileExistsError:
|
||||
logging.critical('creation of directory "{}" failed.'.format(self.dirCurrent()))
|
||||
return False
|
||||
|
||||
def prepareAll(self):
|
||||
"""Do all necessary preparations for the whole test"""
|
||||
"""Do all necessary preparations for the whole test."""
|
||||
return True
|
||||
|
||||
def prepare(self,variant):
|
||||
"""Do all necessary preparations for the run of each test variant"""
|
||||
"""Do all necessary preparations for the run of each test variant."""
|
||||
return True
|
||||
|
||||
|
||||
|
|
@ -207,9 +205,9 @@ class Test():
|
|||
for source,target in zip(list(map(mapA,A)),list(map(mapB,B))):
|
||||
try:
|
||||
shutil.copy2(source,target)
|
||||
except:
|
||||
except FileNotFoundError:
|
||||
logging.critical('error copying {} to {}'.format(source,target))
|
||||
raise
|
||||
raise FileNotFoundError
|
||||
|
||||
|
||||
def copy_Reference2Current(self,sourcefiles=[],targetfiles=[]):
|
||||
|
|
@ -218,9 +216,9 @@ class Test():
|
|||
for i,f in enumerate(sourcefiles):
|
||||
try:
|
||||
shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i]))
|
||||
except:
|
||||
except FileNotFoundError:
|
||||
logging.critical('Reference2Current: Unable to copy file "{}"'.format(f))
|
||||
raise
|
||||
raise FileNotFoundError
|
||||
|
||||
|
||||
def copy_Base2Current(self,sourceDir,sourcefiles=[],targetfiles=[]):
|
||||
|
|
@ -230,10 +228,10 @@ class Test():
|
|||
for i,f in enumerate(sourcefiles):
|
||||
try:
|
||||
shutil.copy2(os.path.join(source,f),self.fileInCurrent(targetfiles[i]))
|
||||
except:
|
||||
except FileNotFoundError:
|
||||
logging.error(os.path.join(source,f))
|
||||
logging.critical('Base2Current: Unable to copy file "{}"'.format(f))
|
||||
raise
|
||||
raise FileNotFoundError
|
||||
|
||||
|
||||
def copy_Current2Reference(self,sourcefiles=[],targetfiles=[]):
|
||||
|
|
@ -242,9 +240,9 @@ class Test():
|
|||
for i,f in enumerate(sourcefiles):
|
||||
try:
|
||||
shutil.copy2(self.fileInCurrent(f),self.fileInReference(targetfiles[i]))
|
||||
except:
|
||||
except FileNotFoundError:
|
||||
logging.critical('Current2Reference: Unable to copy file "{}"'.format(f))
|
||||
raise
|
||||
raise FileNotFoundError
|
||||
|
||||
|
||||
def copy_Proof2Current(self,sourcefiles=[],targetfiles=[]):
|
||||
|
|
@ -253,9 +251,9 @@ class Test():
|
|||
for i,f in enumerate(sourcefiles):
|
||||
try:
|
||||
shutil.copy2(self.fileInProof(f),self.fileInCurrent(targetfiles[i]))
|
||||
except:
|
||||
except FileNotFoundError:
|
||||
logging.critical('Proof2Current: Unable to copy file "{}"'.format(f))
|
||||
raise
|
||||
raise FileNotFoundError
|
||||
|
||||
|
||||
def copy_Current2Current(self,sourcefiles=[],targetfiles=[]):
|
||||
|
|
@ -263,9 +261,10 @@ class Test():
|
|||
for i,f in enumerate(sourcefiles):
|
||||
try:
|
||||
shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i]))
|
||||
except:
|
||||
except FileNotFoundError:
|
||||
logging.critical('Current2Current: Unable to copy file "{}"'.format(f))
|
||||
raise
|
||||
raise FileNotFoundError
|
||||
|
||||
|
||||
def execute_inCurrentDir(self,cmd,streamIn=None,env=None):
|
||||
|
||||
|
|
@ -439,7 +438,7 @@ class Test():
|
|||
stdTol = 1.0e-6,
|
||||
preFilter = 1.0e-9):
|
||||
"""
|
||||
Calculate statistics of tables
|
||||
Calculate statistics of tables.
|
||||
|
||||
threshold can be used to ignore small values (a negative number disables this feature)
|
||||
"""
|
||||
|
|
@ -492,7 +491,7 @@ class Test():
|
|||
rtol = 1e-5,
|
||||
atol = 1e-8,
|
||||
debug = False):
|
||||
"""Compare multiple tables with np.allclose"""
|
||||
"""Compare multiple tables with np.allclose."""
|
||||
if not (isinstance(files, Iterable) and not isinstance(files, str)): # check whether list of files is requested
|
||||
files = [str(files)]
|
||||
|
||||
|
|
@ -1,3 +0,0 @@
|
|||
"""Test functionality."""
|
||||
|
||||
from .test import Test # noqa
|
||||
|
|
@ -0,0 +1,21 @@
|
|||
import os
|
||||
|
||||
import pytest
|
||||
|
||||
import damask
|
||||
|
||||
def pytest_addoption(parser):
|
||||
parser.addoption("--update",
|
||||
action="store_true",
|
||||
default=False)
|
||||
|
||||
@pytest.fixture
|
||||
def update(request):
|
||||
"""Store current results as new reference results."""
|
||||
return request.config.getoption("--update")
|
||||
|
||||
@pytest.fixture
|
||||
def reference_dir_base():
|
||||
"""Directory containing reference results."""
|
||||
env = damask.Environment()
|
||||
return os.path.join(env.rootDir(),'python','tests','reference')
|
||||
|
|
@ -0,0 +1,125 @@
|
|||
68 header
|
||||
geom_fromVoronoiTessellation 2.0.3-1073-g6f3cb071
|
||||
<texture>
|
||||
[Grain1]
|
||||
(gauss) phi1 358.98 Phi 65.62 phi2 24.48
|
||||
[Grain2]
|
||||
(gauss) phi1 121.05 Phi 176.11 phi2 295.73
|
||||
[Grain3]
|
||||
(gauss) phi1 43.79 Phi 113.76 phi2 345.90
|
||||
[Grain4]
|
||||
(gauss) phi1 265.15 Phi 62.52 phi2 299.71
|
||||
[Grain5]
|
||||
(gauss) phi1 221.23 Phi 26.54 phi2 207.05
|
||||
[Grain6]
|
||||
(gauss) phi1 249.81 Phi 61.47 phi2 152.14
|
||||
[Grain7]
|
||||
(gauss) phi1 332.45 Phi 99.16 phi2 345.34
|
||||
[Grain8]
|
||||
(gauss) phi1 312.27 Phi 118.27 phi2 181.59
|
||||
[Grain9]
|
||||
(gauss) phi1 303.10 Phi 48.21 phi2 358.03
|
||||
[Grain10]
|
||||
(gauss) phi1 338.26 Phi 48.11 phi2 176.78
|
||||
[Grain11]
|
||||
(gauss) phi1 115.17 Phi 56.54 phi2 223.84
|
||||
[Grain12]
|
||||
(gauss) phi1 281.04 Phi 97.48 phi2 27.94
|
||||
<microstructure>
|
||||
[Grain1]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 1 fraction 1.0
|
||||
[Grain2]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 2 fraction 1.0
|
||||
[Grain3]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 3 fraction 1.0
|
||||
[Grain4]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 4 fraction 1.0
|
||||
[Grain5]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 5 fraction 1.0
|
||||
[Grain6]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 6 fraction 1.0
|
||||
[Grain7]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 7 fraction 1.0
|
||||
[Grain8]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 8 fraction 1.0
|
||||
[Grain9]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 9 fraction 1.0
|
||||
[Grain10]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 10 fraction 1.0
|
||||
[Grain11]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 11 fraction 1.0
|
||||
[Grain12]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 12 fraction 1.0
|
||||
<!skip>
|
||||
grid a 6 b 7 c 8
|
||||
size x 0.75 y 0.875 z 1.0
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
9 3 3 10 9 9
|
||||
9 1 1 1 9 9
|
||||
9 11 1 1 7 9
|
||||
7 11 11 7 7 7
|
||||
7 11 11 7 7 7
|
||||
12 3 3 10 7 12
|
||||
12 3 3 10 10 12
|
||||
12 3 3 1 9 9
|
||||
9 1 1 1 9 9
|
||||
9 1 1 1 7 7
|
||||
7 1 1 7 7 7
|
||||
12 12 3 7 7 7
|
||||
12 3 3 3 12 12
|
||||
12 3 3 3 12 12
|
||||
12 3 3 1 1 12
|
||||
9 1 1 1 1 9
|
||||
6 1 1 1 8 8
|
||||
7 6 8 8 8 8
|
||||
12 12 8 8 8 12
|
||||
12 3 3 3 12 12
|
||||
12 3 3 3 12 12
|
||||
5 6 6 6 1 12
|
||||
6 6 6 6 8 8
|
||||
6 6 6 8 8 8
|
||||
8 6 8 8 8 8
|
||||
12 5 8 8 8 8
|
||||
12 5 5 8 8 12
|
||||
5 5 5 3 12 12
|
||||
5 5 6 6 6 5
|
||||
6 6 6 6 6 6
|
||||
6 6 6 6 8 8
|
||||
4 4 6 8 8 8
|
||||
4 4 2 2 2 8
|
||||
5 5 5 2 2 2
|
||||
5 5 5 5 2 5
|
||||
5 5 5 10 10 5
|
||||
6 6 6 6 10 4
|
||||
4 4 11 11 2 4
|
||||
4 4 11 2 2 4
|
||||
4 4 2 2 2 2
|
||||
5 5 5 2 2 2
|
||||
5 5 5 10 10 5
|
||||
5 5 10 10 10 9
|
||||
4 11 11 11 10 9
|
||||
4 4 11 11 11 4
|
||||
4 4 11 11 2 4
|
||||
4 4 2 2 2 2
|
||||
5 5 2 2 2 2
|
||||
5 5 10 10 10 10
|
||||
9 10 10 10 10 9
|
||||
9 11 11 10 9 9
|
||||
4 11 11 11 9 9
|
||||
4 11 11 11 7 7
|
||||
4 4 11 2 7 7
|
||||
12 10 10 10 10 7
|
||||
9 10 10 10 10 9
|
||||
Binary file not shown.
|
|
@ -0,0 +1,129 @@
|
|||
<homogenization>
|
||||
[none]
|
||||
mech none
|
||||
ngrains 1
|
||||
|
||||
<texture>
|
||||
[Grain1]
|
||||
(gauss) phi1 358.98 Phi 65.62 phi2 24.48
|
||||
[Grain2]
|
||||
(gauss) phi1 121.05 Phi 176.11 phi2 295.73
|
||||
[Grain3]
|
||||
(gauss) phi1 43.79 Phi 113.76 phi2 345.90
|
||||
[Grain4]
|
||||
(gauss) phi1 265.15 Phi 62.52 phi2 299.71
|
||||
[Grain5]
|
||||
(gauss) phi1 221.23 Phi 26.54 phi2 207.05
|
||||
[Grain6]
|
||||
(gauss) phi1 249.81 Phi 61.47 phi2 152.14
|
||||
[Grain7]
|
||||
(gauss) phi1 332.45 Phi 99.16 phi2 345.34
|
||||
[Grain8]
|
||||
(gauss) phi1 312.27 Phi 118.27 phi2 181.59
|
||||
[Grain9]
|
||||
(gauss) phi1 303.10 Phi 48.21 phi2 358.03
|
||||
[Grain10]
|
||||
(gauss) phi1 338.26 Phi 48.11 phi2 176.78
|
||||
[Grain11]
|
||||
(gauss) phi1 115.17 Phi 56.54 phi2 223.84
|
||||
[Grain12]
|
||||
(gauss) phi1 281.04 Phi 97.48 phi2 27.94
|
||||
|
||||
<microstructure>
|
||||
[Grain1]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 1 fraction 1.0
|
||||
[Grain2]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 2 fraction 1.0
|
||||
[Grain3]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 3 fraction 1.0
|
||||
[Grain4]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 4 fraction 1.0
|
||||
[Grain5]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 5 fraction 1.0
|
||||
[Grain6]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 6 fraction 1.0
|
||||
[Grain7]
|
||||
crystallite 1
|
||||
(constituent) phase 2 texture 7 fraction 1.0
|
||||
[Grain8]
|
||||
crystallite 1
|
||||
(constituent) phase 2 texture 8 fraction 1.0
|
||||
[Grain9]
|
||||
crystallite 1
|
||||
(constituent) phase 2 texture 9 fraction 1.0
|
||||
[Grain10]
|
||||
crystallite 1
|
||||
(constituent) phase 2 texture 10 fraction 1.0
|
||||
[Grain11]
|
||||
crystallite 1
|
||||
(constituent) phase 2 texture 11 fraction 1.0
|
||||
[Grain12]
|
||||
crystallite 1
|
||||
(constituent) phase 2 texture 12 fraction 1.0
|
||||
|
||||
<phase>
|
||||
[pheno_fcc]
|
||||
elasticity hooke
|
||||
plasticity phenopowerlaw
|
||||
|
||||
(output) orientation # quaternion
|
||||
(output) F # deformation gradient tensor
|
||||
(output) Fe # elastic deformation gradient tensor
|
||||
(output) Fp # plastic deformation gradient tensor
|
||||
(output) P # first Piola-Kichhoff stress tensor
|
||||
(output) Lp # plastic velocity gradient tensor
|
||||
|
||||
|
||||
lattice_structure fcc
|
||||
Nslip 12 # per family
|
||||
Ntwin 0 # per family
|
||||
|
||||
c11 106.75e9
|
||||
c12 60.41e9
|
||||
c44 28.34e9
|
||||
|
||||
gdot0_slip 0.001
|
||||
n_slip 20
|
||||
tau0_slip 31e6 # per family
|
||||
tausat_slip 63e6 # per family
|
||||
a_slip 2.25
|
||||
h0_slipslip 75e6
|
||||
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
|
||||
atol_resistance 1
|
||||
|
||||
[pheno_bcc]
|
||||
elasticity hooke
|
||||
plasticity phenopowerlaw
|
||||
|
||||
(output) orientation # quaternion
|
||||
(output) F # deformation gradient tensor
|
||||
(output) Fe # elastic deformation gradient tensor
|
||||
(output) Fp # plastic deformation gradient tensor
|
||||
(output) P # first Piola-Kichhoff stress tensor
|
||||
(output) Lp # plastic velocity gradient tensor
|
||||
|
||||
|
||||
lattice_structure bcc
|
||||
Nslip 12 # per family
|
||||
|
||||
c11 106.75e9
|
||||
c12 60.41e9
|
||||
c44 28.34e9
|
||||
|
||||
gdot0_slip 0.001
|
||||
n_slip 20
|
||||
tau0_slip 31e6 # per family
|
||||
tausat_slip 63e6 # per family
|
||||
a_slip 2.25
|
||||
h0_slipslip 75e6
|
||||
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
|
||||
atol_resistance 1
|
||||
|
||||
<crystallite>
|
||||
[dummy]
|
||||
|
|
@ -0,0 +1 @@
|
|||
fdot * 0 0 0 1.0e-3 0 0 0 * stress 0 * * * * * * * 0 time 20 incs 40 freq 4
|
||||
|
|
@ -0,0 +1,25 @@
|
|||
4 header
|
||||
grid a 8 b 5 c 4
|
||||
size x 8e-06 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 22 2 2 1 21
|
||||
1 1 6 26 2 2 5 25
|
||||
1 1 10 30 2 2 9 29
|
||||
1 1 14 34 2 2 13 33
|
||||
1 1 18 38 2 2 17 37
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 5 25 2 2 4 24
|
||||
1 1 9 29 2 2 8 28
|
||||
1 1 13 33 2 2 12 32
|
||||
1 1 17 37 2 2 16 36
|
||||
1 1 21 41 2 2 20 40
|
||||
|
|
@ -0,0 +1,25 @@
|
|||
4 header
|
||||
grid a 8 b 5 c 4
|
||||
size x 8e-06 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 1 2 2 2 1 1
|
||||
1 1 1 2 2 2 2 1
|
||||
1 1 1 6 2 2 2 5
|
||||
1 1 1 10 2 2 2 9
|
||||
1 1 1 14 2 2 2 13
|
||||
1 1 1 2 2 2 2 1
|
||||
1 1 1 2 2 2 2 1
|
||||
1 1 1 6 2 2 2 5
|
||||
1 1 1 10 2 2 2 9
|
||||
1 1 1 14 2 2 2 13
|
||||
1 1 1 3 2 2 2 2
|
||||
1 1 1 3 2 2 2 2
|
||||
1 1 1 7 2 2 2 6
|
||||
1 1 1 11 2 2 2 10
|
||||
1 1 1 15 2 2 2 14
|
||||
1 1 1 4 2 2 2 3
|
||||
1 1 1 4 2 2 2 3
|
||||
1 1 1 8 2 2 2 7
|
||||
1 1 1 12 2 2 2 11
|
||||
1 1 1 16 2 2 2 15
|
||||
|
|
@ -0,0 +1,25 @@
|
|||
4 header
|
||||
grid a 8 b 5 c 4
|
||||
size x 8e-06 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 1 2 2 2 2 21
|
||||
1 1 1 2 2 2 2 21
|
||||
1 1 1 2 2 2 2 25
|
||||
1 1 1 2 2 2 2 29
|
||||
1 1 1 2 2 2 2 37
|
||||
1 1 1 2 2 2 2 21
|
||||
1 1 1 2 2 2 2 21
|
||||
1 1 1 2 2 2 2 25
|
||||
1 1 1 2 2 2 2 29
|
||||
1 1 1 2 2 2 2 37
|
||||
1 1 1 2 2 2 2 22
|
||||
1 1 1 2 2 2 2 22
|
||||
1 1 1 2 2 2 2 26
|
||||
1 1 1 2 2 2 2 30
|
||||
1 1 1 2 2 2 2 38
|
||||
1 1 1 2 2 2 2 24
|
||||
1 1 1 2 2 2 2 24
|
||||
1 1 1 2 2 2 2 28
|
||||
1 1 1 2 2 2 2 32
|
||||
1 1 1 2 2 2 2 40
|
||||
|
|
@ -0,0 +1,25 @@
|
|||
4 header
|
||||
grid a 8 b 5 c 4
|
||||
size x 8e-06 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 1 2 2 2 2 2
|
||||
1 1 1 2 2 2 2 2
|
||||
1 1 1 2 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
1 1 1 2 2 2 2 2
|
||||
1 1 1 2 2 2 2 2
|
||||
1 1 1 2 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
1 1 1 2 2 2 2 2
|
||||
1 1 1 2 2 2 2 2
|
||||
1 1 1 2 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
1 1 1 1 2 2 2 2
|
||||
|
|
@ -0,0 +1,85 @@
|
|||
4 header
|
||||
grid a 16 b 10 c 8
|
||||
size x 1.6e-05 y 1e-05 z 8e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 22 2 2 1 21 21 1 2 2 22 2 1 1
|
||||
1 1 6 26 2 2 5 25 25 5 2 2 26 6 1 1
|
||||
1 1 10 30 2 2 9 29 29 9 2 2 30 10 1 1
|
||||
1 1 14 34 2 2 13 33 33 13 2 2 34 14 1 1
|
||||
1 1 18 38 2 2 17 37 37 17 2 2 38 18 1 1
|
||||
1 1 18 38 2 2 17 37 37 17 2 2 38 18 1 1
|
||||
1 1 14 34 2 2 13 33 33 13 2 2 34 14 1 1
|
||||
1 1 10 30 2 2 9 29 29 9 2 2 30 10 1 1
|
||||
1 1 6 26 2 2 5 25 25 5 2 2 26 6 1 1
|
||||
1 1 2 22 2 2 1 21 21 1 2 2 22 2 1 1
|
||||
1 1 3 23 2 2 2 22 22 2 2 2 23 3 1 1
|
||||
1 1 7 27 2 2 6 26 26 6 2 2 27 7 1 1
|
||||
1 1 11 31 2 2 10 30 30 10 2 2 31 11 1 1
|
||||
1 1 15 35 2 2 14 34 34 14 2 2 35 15 1 1
|
||||
1 1 19 39 2 2 18 38 38 18 2 2 39 19 1 1
|
||||
1 1 19 39 2 2 18 38 38 18 2 2 39 19 1 1
|
||||
1 1 15 35 2 2 14 34 34 14 2 2 35 15 1 1
|
||||
1 1 11 31 2 2 10 30 30 10 2 2 31 11 1 1
|
||||
1 1 7 27 2 2 6 26 26 6 2 2 27 7 1 1
|
||||
1 1 3 23 2 2 2 22 22 2 2 2 23 3 1 1
|
||||
1 1 4 24 2 2 3 23 23 3 2 2 24 4 1 1
|
||||
1 1 8 28 2 2 7 27 27 7 2 2 28 8 1 1
|
||||
1 1 12 32 2 2 11 31 31 11 2 2 32 12 1 1
|
||||
1 1 16 36 2 2 15 35 35 15 2 2 36 16 1 1
|
||||
1 1 20 40 2 2 19 39 39 19 2 2 40 20 1 1
|
||||
1 1 20 40 2 2 19 39 39 19 2 2 40 20 1 1
|
||||
1 1 16 36 2 2 15 35 35 15 2 2 36 16 1 1
|
||||
1 1 12 32 2 2 11 31 31 11 2 2 32 12 1 1
|
||||
1 1 8 28 2 2 7 27 27 7 2 2 28 8 1 1
|
||||
1 1 4 24 2 2 3 23 23 3 2 2 24 4 1 1
|
||||
1 1 5 25 2 2 4 24 24 4 2 2 25 5 1 1
|
||||
1 1 9 29 2 2 8 28 28 8 2 2 29 9 1 1
|
||||
1 1 13 33 2 2 12 32 32 12 2 2 33 13 1 1
|
||||
1 1 17 37 2 2 16 36 36 16 2 2 37 17 1 1
|
||||
1 1 21 41 2 2 20 40 40 20 2 2 41 21 1 1
|
||||
1 1 21 41 2 2 20 40 40 20 2 2 41 21 1 1
|
||||
1 1 17 37 2 2 16 36 36 16 2 2 37 17 1 1
|
||||
1 1 13 33 2 2 12 32 32 12 2 2 33 13 1 1
|
||||
1 1 9 29 2 2 8 28 28 8 2 2 29 9 1 1
|
||||
1 1 5 25 2 2 4 24 24 4 2 2 25 5 1 1
|
||||
1 1 5 25 2 2 4 24 24 4 2 2 25 5 1 1
|
||||
1 1 9 29 2 2 8 28 28 8 2 2 29 9 1 1
|
||||
1 1 13 33 2 2 12 32 32 12 2 2 33 13 1 1
|
||||
1 1 17 37 2 2 16 36 36 16 2 2 37 17 1 1
|
||||
1 1 21 41 2 2 20 40 40 20 2 2 41 21 1 1
|
||||
1 1 21 41 2 2 20 40 40 20 2 2 41 21 1 1
|
||||
1 1 17 37 2 2 16 36 36 16 2 2 37 17 1 1
|
||||
1 1 13 33 2 2 12 32 32 12 2 2 33 13 1 1
|
||||
1 1 9 29 2 2 8 28 28 8 2 2 29 9 1 1
|
||||
1 1 5 25 2 2 4 24 24 4 2 2 25 5 1 1
|
||||
1 1 4 24 2 2 3 23 23 3 2 2 24 4 1 1
|
||||
1 1 8 28 2 2 7 27 27 7 2 2 28 8 1 1
|
||||
1 1 12 32 2 2 11 31 31 11 2 2 32 12 1 1
|
||||
1 1 16 36 2 2 15 35 35 15 2 2 36 16 1 1
|
||||
1 1 20 40 2 2 19 39 39 19 2 2 40 20 1 1
|
||||
1 1 20 40 2 2 19 39 39 19 2 2 40 20 1 1
|
||||
1 1 16 36 2 2 15 35 35 15 2 2 36 16 1 1
|
||||
1 1 12 32 2 2 11 31 31 11 2 2 32 12 1 1
|
||||
1 1 8 28 2 2 7 27 27 7 2 2 28 8 1 1
|
||||
1 1 4 24 2 2 3 23 23 3 2 2 24 4 1 1
|
||||
1 1 3 23 2 2 2 22 22 2 2 2 23 3 1 1
|
||||
1 1 7 27 2 2 6 26 26 6 2 2 27 7 1 1
|
||||
1 1 11 31 2 2 10 30 30 10 2 2 31 11 1 1
|
||||
1 1 15 35 2 2 14 34 34 14 2 2 35 15 1 1
|
||||
1 1 19 39 2 2 18 38 38 18 2 2 39 19 1 1
|
||||
1 1 19 39 2 2 18 38 38 18 2 2 39 19 1 1
|
||||
1 1 15 35 2 2 14 34 34 14 2 2 35 15 1 1
|
||||
1 1 11 31 2 2 10 30 30 10 2 2 31 11 1 1
|
||||
1 1 7 27 2 2 6 26 26 6 2 2 27 7 1 1
|
||||
1 1 3 23 2 2 2 22 22 2 2 2 23 3 1 1
|
||||
1 1 2 22 2 2 1 21 21 1 2 2 22 2 1 1
|
||||
1 1 6 26 2 2 5 25 25 5 2 2 26 6 1 1
|
||||
1 1 10 30 2 2 9 29 29 9 2 2 30 10 1 1
|
||||
1 1 14 34 2 2 13 33 33 13 2 2 34 14 1 1
|
||||
1 1 18 38 2 2 17 37 37 17 2 2 38 18 1 1
|
||||
1 1 18 38 2 2 17 37 37 17 2 2 38 18 1 1
|
||||
1 1 14 34 2 2 13 33 33 13 2 2 34 14 1 1
|
||||
1 1 10 30 2 2 9 29 29 9 2 2 30 10 1 1
|
||||
1 1 6 26 2 2 5 25 25 5 2 2 26 6 1 1
|
||||
1 1 2 22 2 2 1 21 21 1 2 2 22 2 1 1
|
||||
|
|
@ -0,0 +1,25 @@
|
|||
4 header
|
||||
grid a 14 b 5 c 4
|
||||
size x 1.4e-05 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 22 2 2 1 21 1 2 2 22 2 1
|
||||
1 1 6 26 2 2 5 25 5 2 2 26 6 1
|
||||
1 1 10 30 2 2 9 29 9 2 2 30 10 1
|
||||
1 1 14 34 2 2 13 33 13 2 2 34 14 1
|
||||
1 1 18 38 2 2 17 37 17 2 2 38 18 1
|
||||
1 1 3 23 2 2 2 22 2 2 2 23 3 1
|
||||
1 1 7 27 2 2 6 26 6 2 2 27 7 1
|
||||
1 1 11 31 2 2 10 30 10 2 2 31 11 1
|
||||
1 1 15 35 2 2 14 34 14 2 2 35 15 1
|
||||
1 1 19 39 2 2 18 38 18 2 2 39 19 1
|
||||
1 1 4 24 2 2 3 23 3 2 2 24 4 1
|
||||
1 1 8 28 2 2 7 27 7 2 2 28 8 1
|
||||
1 1 12 32 2 2 11 31 11 2 2 32 12 1
|
||||
1 1 16 36 2 2 15 35 15 2 2 36 16 1
|
||||
1 1 20 40 2 2 19 39 19 2 2 40 20 1
|
||||
1 1 5 25 2 2 4 24 4 2 2 25 5 1
|
||||
1 1 9 29 2 2 8 28 8 2 2 29 9 1
|
||||
1 1 13 33 2 2 12 32 12 2 2 33 13 1
|
||||
1 1 17 37 2 2 16 36 16 2 2 37 17 1
|
||||
1 1 21 41 2 2 20 40 20 2 2 41 21 1
|
||||
|
|
@ -0,0 +1,53 @@
|
|||
4 header
|
||||
grid a 8 b 8 c 6
|
||||
size x 8e-06 y 8.000000000000001e-06 z 6e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 22 2 2 1 21
|
||||
1 1 6 26 2 2 5 25
|
||||
1 1 10 30 2 2 9 29
|
||||
1 1 14 34 2 2 13 33
|
||||
1 1 18 38 2 2 17 37
|
||||
1 1 14 34 2 2 13 33
|
||||
1 1 10 30 2 2 9 29
|
||||
1 1 6 26 2 2 5 25
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 5 25 2 2 4 24
|
||||
1 1 9 29 2 2 8 28
|
||||
1 1 13 33 2 2 12 32
|
||||
1 1 17 37 2 2 16 36
|
||||
1 1 21 41 2 2 20 40
|
||||
1 1 17 37 2 2 16 36
|
||||
1 1 13 33 2 2 12 32
|
||||
1 1 9 29 2 2 8 28
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 7 27 2 2 6 26
|
||||
|
|
@ -0,0 +1,53 @@
|
|||
4 header
|
||||
grid a 14 b 8 c 6
|
||||
size x 1.4e-05 y 8.000000000000001e-06 z 6e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 22 2 2 1 21 1 2 2 22 2 1
|
||||
1 1 6 26 2 2 5 25 5 2 2 26 6 1
|
||||
1 1 10 30 2 2 9 29 9 2 2 30 10 1
|
||||
1 1 14 34 2 2 13 33 13 2 2 34 14 1
|
||||
1 1 18 38 2 2 17 37 17 2 2 38 18 1
|
||||
1 1 14 34 2 2 13 33 13 2 2 34 14 1
|
||||
1 1 10 30 2 2 9 29 9 2 2 30 10 1
|
||||
1 1 6 26 2 2 5 25 5 2 2 26 6 1
|
||||
1 1 3 23 2 2 2 22 2 2 2 23 3 1
|
||||
1 1 7 27 2 2 6 26 6 2 2 27 7 1
|
||||
1 1 11 31 2 2 10 30 10 2 2 31 11 1
|
||||
1 1 15 35 2 2 14 34 14 2 2 35 15 1
|
||||
1 1 19 39 2 2 18 38 18 2 2 39 19 1
|
||||
1 1 15 35 2 2 14 34 14 2 2 35 15 1
|
||||
1 1 11 31 2 2 10 30 10 2 2 31 11 1
|
||||
1 1 7 27 2 2 6 26 6 2 2 27 7 1
|
||||
1 1 4 24 2 2 3 23 3 2 2 24 4 1
|
||||
1 1 8 28 2 2 7 27 7 2 2 28 8 1
|
||||
1 1 12 32 2 2 11 31 11 2 2 32 12 1
|
||||
1 1 16 36 2 2 15 35 15 2 2 36 16 1
|
||||
1 1 20 40 2 2 19 39 19 2 2 40 20 1
|
||||
1 1 16 36 2 2 15 35 15 2 2 36 16 1
|
||||
1 1 12 32 2 2 11 31 11 2 2 32 12 1
|
||||
1 1 8 28 2 2 7 27 7 2 2 28 8 1
|
||||
1 1 5 25 2 2 4 24 4 2 2 25 5 1
|
||||
1 1 9 29 2 2 8 28 8 2 2 29 9 1
|
||||
1 1 13 33 2 2 12 32 12 2 2 33 13 1
|
||||
1 1 17 37 2 2 16 36 16 2 2 37 17 1
|
||||
1 1 21 41 2 2 20 40 20 2 2 41 21 1
|
||||
1 1 17 37 2 2 16 36 16 2 2 37 17 1
|
||||
1 1 13 33 2 2 12 32 12 2 2 33 13 1
|
||||
1 1 9 29 2 2 8 28 8 2 2 29 9 1
|
||||
1 1 4 24 2 2 3 23 3 2 2 24 4 1
|
||||
1 1 8 28 2 2 7 27 7 2 2 28 8 1
|
||||
1 1 12 32 2 2 11 31 11 2 2 32 12 1
|
||||
1 1 16 36 2 2 15 35 15 2 2 36 16 1
|
||||
1 1 20 40 2 2 19 39 19 2 2 40 20 1
|
||||
1 1 16 36 2 2 15 35 15 2 2 36 16 1
|
||||
1 1 12 32 2 2 11 31 11 2 2 32 12 1
|
||||
1 1 8 28 2 2 7 27 7 2 2 28 8 1
|
||||
1 1 3 23 2 2 2 22 2 2 2 23 3 1
|
||||
1 1 7 27 2 2 6 26 6 2 2 27 7 1
|
||||
1 1 11 31 2 2 10 30 10 2 2 31 11 1
|
||||
1 1 15 35 2 2 14 34 14 2 2 35 15 1
|
||||
1 1 19 39 2 2 18 38 18 2 2 39 19 1
|
||||
1 1 15 35 2 2 14 34 14 2 2 35 15 1
|
||||
1 1 11 31 2 2 10 30 10 2 2 31 11 1
|
||||
1 1 7 27 2 2 6 26 6 2 2 27 7 1
|
||||
|
|
@ -0,0 +1,105 @@
|
|||
4 header
|
||||
grid a 10 b 10 c 10
|
||||
size x 8e-06 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
|
|
@ -0,0 +1,115 @@
|
|||
4 header
|
||||
grid a 10 b 11 c 10
|
||||
size x 8e-06 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
|
|
@ -0,0 +1,135 @@
|
|||
4 header
|
||||
grid a 10 b 13 c 10
|
||||
size x 8e-06 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 3 3 23 2 2 2 2 22
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 7 7 27 2 2 2 6 26
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 11 11 31 2 2 2 10 30
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 15 15 35 2 2 2 14 34
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 19 19 39 2 2 2 18 38
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 4 4 24 2 2 2 3 23
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 8 8 28 2 2 2 7 27
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 12 12 32 2 2 2 11 31
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 16 16 36 2 2 2 15 35
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 20 20 40 2 2 2 19 39
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
|
|
@ -0,0 +1,45 @@
|
|||
4 header
|
||||
grid a 10 b 20 c 2
|
||||
size x 8e-06 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 2 2 22 2 2 2 1 21
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 6 6 26 2 2 2 5 25
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 10 10 30 2 2 2 9 29
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 14 14 34 2 2 2 13 33
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 18 18 38 2 2 2 17 37
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 5 5 25 2 2 2 4 24
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 9 9 29 2 2 2 8 28
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 13 13 33 2 2 2 12 32
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 17 17 37 2 2 2 16 36
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
1 1 21 21 41 2 2 2 20 40
|
||||
|
|
@ -0,0 +1,85 @@
|
|||
4 header
|
||||
grid a 5 b 4 c 20
|
||||
size x 8e-06 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 2 2 2 21
|
||||
1 6 2 2 25
|
||||
1 14 2 2 33
|
||||
1 18 2 2 37
|
||||
1 2 2 2 21
|
||||
1 6 2 2 25
|
||||
1 14 2 2 33
|
||||
1 18 2 2 37
|
||||
1 2 2 2 21
|
||||
1 6 2 2 25
|
||||
1 14 2 2 33
|
||||
1 18 2 2 37
|
||||
1 2 2 2 21
|
||||
1 6 2 2 25
|
||||
1 14 2 2 33
|
||||
1 18 2 2 37
|
||||
1 3 2 2 22
|
||||
1 7 2 2 26
|
||||
1 15 2 2 34
|
||||
1 19 2 2 38
|
||||
1 3 2 2 22
|
||||
1 7 2 2 26
|
||||
1 15 2 2 34
|
||||
1 19 2 2 38
|
||||
1 3 2 2 22
|
||||
1 7 2 2 26
|
||||
1 15 2 2 34
|
||||
1 19 2 2 38
|
||||
1 3 2 2 22
|
||||
1 7 2 2 26
|
||||
1 15 2 2 34
|
||||
1 19 2 2 38
|
||||
1 3 2 2 22
|
||||
1 7 2 2 26
|
||||
1 15 2 2 34
|
||||
1 19 2 2 38
|
||||
1 3 2 2 22
|
||||
1 7 2 2 26
|
||||
1 15 2 2 34
|
||||
1 19 2 2 38
|
||||
1 4 2 2 23
|
||||
1 8 2 2 27
|
||||
1 16 2 2 35
|
||||
1 20 2 2 39
|
||||
1 4 2 2 23
|
||||
1 8 2 2 27
|
||||
1 16 2 2 35
|
||||
1 20 2 2 39
|
||||
1 4 2 2 23
|
||||
1 8 2 2 27
|
||||
1 16 2 2 35
|
||||
1 20 2 2 39
|
||||
1 4 2 2 23
|
||||
1 8 2 2 27
|
||||
1 16 2 2 35
|
||||
1 20 2 2 39
|
||||
1 4 2 2 23
|
||||
1 8 2 2 27
|
||||
1 16 2 2 35
|
||||
1 20 2 2 39
|
||||
1 4 2 2 23
|
||||
1 8 2 2 27
|
||||
1 16 2 2 35
|
||||
1 20 2 2 39
|
||||
1 5 2 2 24
|
||||
1 9 2 2 28
|
||||
1 17 2 2 36
|
||||
1 21 2 2 40
|
||||
1 5 2 2 24
|
||||
1 9 2 2 28
|
||||
1 17 2 2 36
|
||||
1 21 2 2 40
|
||||
1 5 2 2 24
|
||||
1 9 2 2 28
|
||||
1 17 2 2 36
|
||||
1 21 2 2 40
|
||||
1 5 2 2 24
|
||||
1 9 2 2 28
|
||||
1 17 2 2 36
|
||||
1 21 2 2 40
|
||||
|
|
@ -0,0 +1,125 @@
|
|||
4 header
|
||||
grid a 8 b 10 c 12
|
||||
size x 8e-06 y 5e-06 z 4e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 22 2 2 1 21
|
||||
1 1 2 22 2 2 1 21
|
||||
1 1 6 26 2 2 5 25
|
||||
1 1 6 26 2 2 5 25
|
||||
1 1 10 30 2 2 9 29
|
||||
1 1 10 30 2 2 9 29
|
||||
1 1 14 34 2 2 13 33
|
||||
1 1 14 34 2 2 13 33
|
||||
1 1 18 38 2 2 17 37
|
||||
1 1 18 38 2 2 17 37
|
||||
1 1 2 22 2 2 1 21
|
||||
1 1 2 22 2 2 1 21
|
||||
1 1 6 26 2 2 5 25
|
||||
1 1 6 26 2 2 5 25
|
||||
1 1 10 30 2 2 9 29
|
||||
1 1 10 30 2 2 9 29
|
||||
1 1 14 34 2 2 13 33
|
||||
1 1 14 34 2 2 13 33
|
||||
1 1 18 38 2 2 17 37
|
||||
1 1 18 38 2 2 17 37
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 5 25 2 2 4 24
|
||||
1 1 5 25 2 2 4 24
|
||||
1 1 9 29 2 2 8 28
|
||||
1 1 9 29 2 2 8 28
|
||||
1 1 13 33 2 2 12 32
|
||||
1 1 13 33 2 2 12 32
|
||||
1 1 17 37 2 2 16 36
|
||||
1 1 17 37 2 2 16 36
|
||||
1 1 21 41 2 2 20 40
|
||||
1 1 21 41 2 2 20 40
|
||||
1 1 5 25 2 2 4 24
|
||||
1 1 5 25 2 2 4 24
|
||||
1 1 9 29 2 2 8 28
|
||||
1 1 9 29 2 2 8 28
|
||||
1 1 13 33 2 2 12 32
|
||||
1 1 13 33 2 2 12 32
|
||||
1 1 17 37 2 2 16 36
|
||||
1 1 17 37 2 2 16 36
|
||||
1 1 21 41 2 2 20 40
|
||||
1 1 21 41 2 2 20 40
|
||||
|
|
@ -0,0 +1,4 @@
|
|||
1 header
|
||||
a b
|
||||
1.0 hallo
|
||||
0.1 "hallo test"
|
||||
|
|
@ -0,0 +1,6 @@
|
|||
1 header
|
||||
a b 1_c 2_c
|
||||
1 2 3 4
|
||||
5 6 7 8
|
||||
9 10. 12. 12
|
||||
|
||||
|
|
@ -0,0 +1,82 @@
|
|||
import shutil
|
||||
import os
|
||||
|
||||
import pytest
|
||||
import numpy as np
|
||||
|
||||
from damask import DADF5
|
||||
from damask import mechanics
|
||||
|
||||
@pytest.fixture
|
||||
def default(tmp_path,reference_dir):
|
||||
"""Small DADF5 file in temp location for modification."""
|
||||
fname = '12grains6x7x8_tensionY.hdf5'
|
||||
shutil.copy(os.path.join(reference_dir,fname),tmp_path)
|
||||
f = DADF5(os.path.join(tmp_path,fname))
|
||||
f.set_by_time(20.0,20.0)
|
||||
return f
|
||||
|
||||
@pytest.fixture
|
||||
def reference_dir(reference_dir_base):
|
||||
"""Directory containing reference results."""
|
||||
return os.path.join(reference_dir_base,'DADF5')
|
||||
|
||||
|
||||
class TestDADF5:
|
||||
|
||||
def test_time_increments(self,default):
|
||||
shape = default.read_dataset(default.get_dataset_location('F'),0).shape
|
||||
default.set_by_time(0.0,20.0)
|
||||
for i in default.iter_visible('increments'):
|
||||
assert shape == default.read_dataset(default.get_dataset_location('F'),0).shape
|
||||
|
||||
|
||||
def test_add_absolute(self,default):
|
||||
default.add_absolute('Fe')
|
||||
loc = {'Fe': default.get_dataset_location('Fe'),
|
||||
'|Fe|': default.get_dataset_location('|Fe|')}
|
||||
in_memory = np.abs(default.read_dataset(loc['Fe'],0))
|
||||
in_file = default.read_dataset(loc['|Fe|'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_Cauchy(self,default):
|
||||
default.add_Cauchy('P','F')
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'P': default.get_dataset_location('P'),
|
||||
'sigma':default.get_dataset_location('sigma')}
|
||||
in_memory = mechanics.Cauchy(default.read_dataset(loc['F'],0),
|
||||
default.read_dataset(loc['P'],0))
|
||||
in_file = default.read_dataset(loc['sigma'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_determinant(self,default):
|
||||
default.add_determinant('P')
|
||||
loc = {'P': default.get_dataset_location('P'),
|
||||
'det(P)':default.get_dataset_location('det(P)')}
|
||||
in_memory = np.linalg.det(default.read_dataset(loc['P'],0)).reshape((-1,1))
|
||||
in_file = default.read_dataset(loc['det(P)'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_deviator(self,default):
|
||||
default.add_deviator('P')
|
||||
loc = {'P' :default.get_dataset_location('P'),
|
||||
's_P':default.get_dataset_location('s_P')}
|
||||
in_memory = mechanics.deviatoric_part(default.read_dataset(loc['P'],0))
|
||||
in_file = default.read_dataset(loc['s_P'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_norm(self,default):
|
||||
default.add_norm('F',1)
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'|F|_1':default.get_dataset_location('|F|_1')}
|
||||
in_memory = np.linalg.norm(default.read_dataset(loc['F'],0),ord=1,axis=(1,2),keepdims=True)
|
||||
in_file = default.read_dataset(loc['|F|_1'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_spherical(self,default):
|
||||
default.add_spherical('P')
|
||||
loc = {'P': default.get_dataset_location('P'),
|
||||
'p_P': default.get_dataset_location('p_P')}
|
||||
in_memory = mechanics.spherical_part(default.read_dataset(loc['P'],0)).reshape(-1,1)
|
||||
in_file = default.read_dataset(loc['p_P'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
|
@ -0,0 +1,99 @@
|
|||
import copy
|
||||
import os
|
||||
|
||||
import pytest
|
||||
import numpy as np
|
||||
|
||||
from damask import Geom
|
||||
|
||||
|
||||
def geom_equal(a,b):
|
||||
return np.all(a.get_microstructure() == b.get_microstructure()) and \
|
||||
np.all(a.get_size() == b.get_size()) and \
|
||||
np.all(a.get_grid() == b.get_grid())
|
||||
|
||||
@pytest.fixture
|
||||
def default():
|
||||
"""Simple geometry."""
|
||||
x=np.concatenate((np.ones(40,dtype=int),
|
||||
np.arange(2,42),
|
||||
np.ones(40,dtype=int)*2,
|
||||
np.arange(1,41))).reshape((8,5,4))
|
||||
return Geom(x,[8e-6,5e-6,4e-6])
|
||||
|
||||
@pytest.fixture
|
||||
def reference_dir(reference_dir_base):
|
||||
"""Directory containing reference results."""
|
||||
return os.path.join(reference_dir_base,'Geom')
|
||||
|
||||
|
||||
class TestGeom:
|
||||
|
||||
def test_update(self,default):
|
||||
modified = copy.deepcopy(default)
|
||||
modified.update(
|
||||
default.get_microstructure(),
|
||||
default.get_size(),
|
||||
default.get_origin()
|
||||
)
|
||||
assert geom_equal(modified,default)
|
||||
|
||||
|
||||
def test_write_read_str(self,default,tmpdir):
|
||||
default.to_file(str(tmpdir.join('default.geom')))
|
||||
new = Geom.from_file(str(tmpdir.join('default.geom')))
|
||||
assert geom_equal(new,default)
|
||||
|
||||
def test_write_read_file(self,default,tmpdir):
|
||||
with open(tmpdir.join('default.geom'),'w') as f:
|
||||
default.to_file(f)
|
||||
with open(tmpdir.join('default.geom')) as f:
|
||||
new = Geom.from_file(f)
|
||||
assert geom_equal(new,default)
|
||||
|
||||
@pytest.mark.parametrize('pack',[True,False])
|
||||
def test_pack(self,default,tmpdir,pack):
|
||||
default.to_file(tmpdir.join('default.geom'),pack=pack)
|
||||
new = Geom.from_file(tmpdir.join('default.geom'))
|
||||
assert geom_equal(new,default)
|
||||
|
||||
@pytest.mark.parametrize('directions,reflect',[
|
||||
(['x'], False),
|
||||
(['x','y','z'],True),
|
||||
(['z','x','y'],False),
|
||||
(['y','z'], False)
|
||||
]
|
||||
)
|
||||
def test_mirror(self,default,update,reference_dir,directions,reflect):
|
||||
modified = copy.deepcopy(default)
|
||||
modified.mirror(directions,reflect)
|
||||
tag = 'directions={}_reflect={}'.format('-'.join(directions),reflect)
|
||||
reference = os.path.join(reference_dir,'mirror_{}.geom'.format(tag))
|
||||
if update: modified.to_file(reference)
|
||||
assert geom_equal(modified,Geom.from_file(reference))
|
||||
|
||||
@pytest.mark.parametrize('stencil',[(1),(2),(3),(4)])
|
||||
def test_clean(self,default,update,reference_dir,stencil):
|
||||
modified = copy.deepcopy(default)
|
||||
modified.clean(stencil)
|
||||
tag = 'stencil={}'.format(stencil)
|
||||
reference = os.path.join(reference_dir,'clean_{}.geom'.format(tag))
|
||||
if update: modified.to_file(reference)
|
||||
assert geom_equal(modified,Geom.from_file(reference))
|
||||
|
||||
@pytest.mark.parametrize('grid',[
|
||||
((10,11,10)),
|
||||
([10,13,10]),
|
||||
(np.array((10,10,10))),
|
||||
(np.array((8, 10,12))),
|
||||
(np.array((5, 4, 20))),
|
||||
(np.array((10,20,2)) )
|
||||
]
|
||||
)
|
||||
def test_scale(self,default,update,reference_dir,grid):
|
||||
modified = copy.deepcopy(default)
|
||||
modified.scale(grid)
|
||||
tag = 'grid={}'.format('-'.join([str(x) for x in grid]))
|
||||
reference = os.path.join(reference_dir,'scale_{}.geom'.format(tag))
|
||||
if update: modified.to_file(reference)
|
||||
assert geom_equal(modified,Geom.from_file(reference))
|
||||
|
|
@ -0,0 +1,55 @@
|
|||
import pytest
|
||||
import numpy as np
|
||||
|
||||
from damask import Rotation
|
||||
|
||||
n = 1000
|
||||
|
||||
@pytest.fixture
|
||||
def default():
|
||||
"""A set of n random rotations."""
|
||||
return [Rotation.fromRandom() for r in range(n)]
|
||||
|
||||
|
||||
class TestRotation:
|
||||
|
||||
def test_Eulers(self,default):
|
||||
for rot in default:
|
||||
assert np.allclose(rot.asQuaternion(),
|
||||
Rotation.fromEulers(rot.asEulers()).asQuaternion())
|
||||
|
||||
|
||||
def test_AxisAngle(self,default):
|
||||
for rot in default:
|
||||
assert np.allclose(rot.asEulers(),
|
||||
Rotation.fromAxisAngle(rot.asAxisAngle()).asEulers())
|
||||
|
||||
|
||||
def test_Matrix(self,default):
|
||||
for rot in default:
|
||||
assert np.allclose(rot.asAxisAngle(),
|
||||
Rotation.fromMatrix(rot.asMatrix()).asAxisAngle())
|
||||
|
||||
|
||||
def test_Rodriques(self,default):
|
||||
for rot in default:
|
||||
assert np.allclose(rot.asMatrix(),
|
||||
Rotation.fromRodrigues(rot.asRodrigues()).asMatrix())
|
||||
|
||||
|
||||
def test_Homochoric(self,default):
|
||||
for rot in default:
|
||||
assert np.allclose(rot.asRodrigues(),
|
||||
Rotation.fromHomochoric(rot.asHomochoric()).asRodrigues())
|
||||
|
||||
|
||||
def test_Cubochoric(self,default):
|
||||
for rot in default:
|
||||
assert np.allclose(rot.asHomochoric(),
|
||||
Rotation.fromCubochoric(rot.asCubochoric()).asHomochoric())
|
||||
|
||||
|
||||
def test_Quaternion(self,default):
|
||||
for rot in default:
|
||||
assert np.allclose(rot.asCubochoric(),
|
||||
Rotation.fromQuaternion(rot.asQuaternion()).asCubochoric())
|
||||
|
|
@ -0,0 +1,128 @@
|
|||
import os
|
||||
|
||||
import pytest
|
||||
import numpy as np
|
||||
|
||||
from damask import Table
|
||||
|
||||
|
||||
@pytest.fixture
|
||||
def default():
|
||||
"""Simple Table."""
|
||||
x = np.ones((5,13),dtype=float)
|
||||
return Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['test data','contains only ones'])
|
||||
|
||||
@pytest.fixture
|
||||
def reference_dir(reference_dir_base):
|
||||
"""Directory containing reference results."""
|
||||
return os.path.join(reference_dir_base,'Table')
|
||||
|
||||
class TestTable:
|
||||
|
||||
def test_get_scalar(self,default):
|
||||
d = default.get('s')
|
||||
assert np.allclose(d,1.0) and d.shape[1:] == (1,)
|
||||
|
||||
def test_get_vector(self,default):
|
||||
d = default.get('v')
|
||||
assert np.allclose(d,1.0) and d.shape[1:] == (3,)
|
||||
|
||||
def test_get_tensor(self,default):
|
||||
d = default.get('F')
|
||||
assert np.allclose(d,1.0) and d.shape[1:] == (3,3)
|
||||
|
||||
def test_get_component(self,default):
|
||||
d = default.get('5_F')
|
||||
assert np.allclose(d,1.0) and d.shape[1:] == (1,)
|
||||
|
||||
def test_write_read_str(self,default,tmpdir):
|
||||
default.to_ASCII(str(tmpdir.join('default.txt')))
|
||||
new = Table.from_ASCII(str(tmpdir.join('default.txt')))
|
||||
assert all(default.data==new.data)
|
||||
|
||||
def test_write_read_file(self,default,tmpdir):
|
||||
with open(tmpdir.join('default.txt'),'w') as f:
|
||||
default.to_ASCII(f)
|
||||
with open(tmpdir.join('default.txt')) as f:
|
||||
new = Table.from_ASCII(f)
|
||||
assert all(default.data==new.data)
|
||||
|
||||
@pytest.mark.parametrize('fname',['datatype-mix.txt','whitespace-mix.txt'])
|
||||
def test_read_strange(self,reference_dir,fname):
|
||||
with open(os.path.join(reference_dir,fname)) as f:
|
||||
Table.from_ASCII(f)
|
||||
|
||||
def test_set(self,default):
|
||||
default.set('F',np.zeros((5,3,3)),'set to zero')
|
||||
d=default.get('F')
|
||||
assert np.allclose(d,0.0) and d.shape[1:] == (3,3)
|
||||
|
||||
def test_labels(self,default):
|
||||
assert default.labels == ['F','v','s']
|
||||
|
||||
def test_add(self,default):
|
||||
d = np.random.random((5,9))
|
||||
default.add('nine',d,'random data')
|
||||
assert np.allclose(d,default.get('nine'))
|
||||
|
||||
def test_rename_equivalent(self,default):
|
||||
v = default.get('v')
|
||||
default.rename('v','u')
|
||||
u = default.get('u')
|
||||
assert np.all(v == u)
|
||||
|
||||
def test_rename_gone(self,default):
|
||||
default.rename('v','V')
|
||||
with pytest.raises(KeyError):
|
||||
default.get('v')
|
||||
|
||||
def test_delete(self,default):
|
||||
default.delete('v')
|
||||
with pytest.raises(KeyError):
|
||||
default.get('v')
|
||||
|
||||
|
||||
def test_invalid_initialization(self):
|
||||
x = np.random.random((5,10))
|
||||
with pytest.raises(ValueError):
|
||||
Table(x,{'F':(3,3)})
|
||||
|
||||
def test_invalid_set(self,default):
|
||||
x = default.get('v')
|
||||
with pytest.raises(ValueError):
|
||||
default.set('F',x,'does not work')
|
||||
|
||||
def test_invalid_get(self,default):
|
||||
with pytest.raises(KeyError):
|
||||
default.get('n')
|
||||
|
||||
def test_sort_scalar(self):
|
||||
x = np.random.random((5,13))
|
||||
t = Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['random test data'])
|
||||
unsort = t.get('s')
|
||||
t.sort_by('s')
|
||||
sort = t.get('s')
|
||||
assert np.all(np.sort(unsort,0)==sort)
|
||||
|
||||
def test_sort_component(self):
|
||||
x = np.random.random((5,12))
|
||||
t = Table(x,{'F':(3,3),'v':(3,)},['random test data'])
|
||||
unsort = t.get('4_F')
|
||||
t.sort_by('4_F')
|
||||
sort = t.get('4_F')
|
||||
assert np.all(np.sort(unsort,0)==sort)
|
||||
|
||||
def test_sort_revert(self):
|
||||
x = np.random.random((5,12))
|
||||
t = Table(x,{'F':(3,3),'v':(3,)},['random test data'])
|
||||
t.sort_by('4_F',ascending=False)
|
||||
sort = t.get('4_F')
|
||||
assert np.all(np.sort(sort,0)==sort[::-1,:])
|
||||
|
||||
def test_sort(self):
|
||||
t = Table(np.array([[0,1,],[2,1,]]),
|
||||
{'v':(2,)},
|
||||
['test data'])
|
||||
t.add('s',np.array(['b','a']))
|
||||
t.sort_by('s')
|
||||
assert np.all(t.get('1_v') == np.array([2,0]).reshape((2,1)))
|
||||
|
|
@ -0,0 +1,142 @@
|
|||
import numpy as np
|
||||
from damask import mechanics
|
||||
|
||||
class TestMechanics:
|
||||
|
||||
n = 1000
|
||||
c = np.random.randint(n)
|
||||
|
||||
|
||||
def test_vectorize_Cauchy(self):
|
||||
P = np.random.random((self.n,3,3))
|
||||
F = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Cauchy(F,P)[self.c],
|
||||
mechanics.Cauchy(F[self.c],P[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_strain_tensor(self):
|
||||
F = np.random.random((self.n,3,3))
|
||||
t = ['V','U'][np.random.randint(0,2)]
|
||||
m = np.random.random()*10. -5.0
|
||||
assert np.allclose(mechanics.strain_tensor(F,t,m)[self.c],
|
||||
mechanics.strain_tensor(F[self.c],t,m))
|
||||
|
||||
|
||||
def test_vectorize_deviatoric_part(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.deviatoric_part(x)[self.c],
|
||||
mechanics.deviatoric_part(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_spherical_part(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.spherical_part(x)[self.c],
|
||||
mechanics.spherical_part(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_Mises_stress(self):
|
||||
sigma = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Mises_stress(sigma)[self.c],
|
||||
mechanics.Mises_stress(sigma[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_Mises_strain(self):
|
||||
epsilon = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Mises_strain(epsilon)[self.c],
|
||||
mechanics.Mises_strain(epsilon[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_symmetric(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.symmetric(x)[self.c],
|
||||
mechanics.symmetric(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_maximum_shear(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.maximum_shear(x)[self.c],
|
||||
mechanics.maximum_shear(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_principal_components(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.principal_components(x)[self.c],
|
||||
mechanics.principal_components(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_transpose(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.transpose(x)[self.c],
|
||||
mechanics.transpose(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_rotational_part(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.rotational_part(x)[self.c],
|
||||
mechanics.rotational_part(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_left_stretch(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.left_stretch(x)[self.c],
|
||||
mechanics.left_stretch(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_right_stretch(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.right_stretch(x)[self.c],
|
||||
mechanics.right_stretch(x[self.c]))
|
||||
|
||||
|
||||
def test_Cauchy(self):
|
||||
"""Ensure Cauchy stress is symmetrized 1. Piola-Kirchhoff stress for no deformation."""
|
||||
P = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Cauchy(np.broadcast_to(np.eye(3),(self.n,3,3)),P),
|
||||
mechanics.symmetric(P))
|
||||
|
||||
|
||||
def test_strain_tensor_no_rotation(self):
|
||||
"""Ensure that left and right stretch give same results for no rotation."""
|
||||
F = np.broadcast_to(np.eye(3),[self.n,3,3])*np.random.random((self.n,3,3))
|
||||
m = np.random.random()*20.0-10.0
|
||||
assert np.allclose(mechanics.strain_tensor(F,'U',m),
|
||||
mechanics.strain_tensor(F,'V',m))
|
||||
|
||||
|
||||
def test_strain_tensor_rotation(self):
|
||||
"""Ensure that pure rotation results in no strain."""
|
||||
F = mechanics.rotational_part(np.random.random((self.n,3,3)))
|
||||
t = ['V','U'][np.random.randint(0,2)]
|
||||
m = np.random.random()*2.0 - 1.0
|
||||
assert np.allclose(mechanics.strain_tensor(F,t,m),
|
||||
0.0)
|
||||
|
||||
|
||||
def test_spherical_deviatoric_part(self):
|
||||
"""Ensure that full tensor is sum of spherical and deviatoric part."""
|
||||
x = np.random.random((self.n,3,3))
|
||||
sph = np.broadcast_to(np.eye(3),(self.n,3,3))\
|
||||
* np.repeat(mechanics.spherical_part(x),9).reshape(self.n,3,3)
|
||||
assert np.allclose(sph + mechanics.deviatoric_part(x),
|
||||
x)
|
||||
|
||||
|
||||
def test_symmetric(self):
|
||||
"""Ensure that a symmetric tensor is half of the sum of a tensor and its transpose."""
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.symmetric(x)*2.0,
|
||||
mechanics.transpose(x)+x)
|
||||
|
||||
|
||||
def test_transpose(self):
|
||||
"""Ensure that a symmetric tensor equals its transpose."""
|
||||
x = mechanics.symmetric(np.random.random((self.n,3,3)))
|
||||
assert np.allclose(mechanics.transpose(x),
|
||||
x)
|
||||
|
||||
|
||||
def test_Mises(self):
|
||||
"""Ensure that equivalent stress is 3/2 of equivalent strain."""
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Mises_stress(x)/mechanics.Mises_strain(x),
|
||||
1.5)
|
||||
|
|
@ -178,19 +178,19 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
|
|||
if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) &
|
||||
CPFEM_dcsde = CPFEM_dcsde_knownGood
|
||||
|
||||
!*** age results and write restart data if requested
|
||||
!*** age results
|
||||
if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) then
|
||||
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
|
||||
crystallite_F0 = crystallite_partionedF ! crystallite deformation
|
||||
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
|
||||
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
|
||||
crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
|
||||
crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
|
||||
crystallite_S0 = crystallite_S ! crystallite 2nd Piola Kirchhoff stress
|
||||
|
||||
forall ( i = 1:size(plasticState )) plasticState(i)%state0 = plasticState(i)%state ! copy state in this lenghty way because: A component cannot be an array if the encompassing structure is an array
|
||||
forall (i = 1:size(plasticState)) plasticState(i)%state0 = plasticState(i)%state
|
||||
do i = 1, size(sourceState)
|
||||
do mySource = 1,phase_Nsources(i)
|
||||
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state ! copy state in this lenghty way because: A component cannot be an array if the encompassing structure is an array
|
||||
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state
|
||||
enddo; enddo
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) then
|
||||
write(6,'(a)') '<< CPFEM >> aging states'
|
||||
|
|
@ -275,7 +275,6 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
|
|||
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
|
||||
write(6,'(a,i8,1x,i2)') '<< CPFEM >> calculation for elFE ip ',elFE,ip
|
||||
call materialpoint_stressAndItsTangent(updateJaco, dt) ! calculate stress and its tangent
|
||||
call materialpoint_postResults()
|
||||
|
||||
!* parallel computation and calulation not yet done
|
||||
|
||||
|
|
@ -284,7 +283,6 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
|
|||
write(6,'(a,i8,a,i8)') '<< CPFEM >> calculation for elements ',FEsolving_execElem(1),&
|
||||
' to ',FEsolving_execElem(2)
|
||||
call materialpoint_stressAndItsTangent(updateJaco, dt) ! calculate stress and its tangent (parallel execution inside)
|
||||
call materialpoint_postResults()
|
||||
CPFEM_calc_done = .true.
|
||||
endif
|
||||
|
||||
|
|
|
|||
122
src/CPFEM2.f90
122
src/CPFEM2.f90
|
|
@ -11,7 +11,6 @@ module CPFEM2
|
|||
use FEsolving
|
||||
use math
|
||||
use rotations
|
||||
use mesh
|
||||
use material
|
||||
use lattice
|
||||
use IO
|
||||
|
|
@ -25,15 +24,19 @@ module CPFEM2
|
|||
use crystallite
|
||||
#ifdef FEM
|
||||
use FEM_Zoo
|
||||
use mesh
|
||||
#else
|
||||
use mesh_grid
|
||||
#endif
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
public :: &
|
||||
CPFEM_age, &
|
||||
CPFEM_forward, &
|
||||
CPFEM_initAll, &
|
||||
CPFEM_results
|
||||
CPFEM_results, &
|
||||
CPFEM_restartWrite
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -54,10 +57,10 @@ subroutine CPFEM_initAll
|
|||
call config_init
|
||||
call math_init
|
||||
call rotations_init
|
||||
call mesh_init
|
||||
call lattice_init
|
||||
call HDF5_utilities_init
|
||||
call results_init
|
||||
call mesh_init
|
||||
call material_init
|
||||
call constitutive_init
|
||||
call crystallite_init
|
||||
|
|
@ -90,24 +93,24 @@ subroutine CPFEM_init
|
|||
|
||||
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
|
||||
|
||||
call HDF5_read(fileHandle,crystallite_F0, 'convergedF')
|
||||
call HDF5_read(fileHandle,crystallite_Fp0,'convergedFp')
|
||||
call HDF5_read(fileHandle,crystallite_Fi0,'convergedFi')
|
||||
call HDF5_read(fileHandle,crystallite_Lp0,'convergedLp')
|
||||
call HDF5_read(fileHandle,crystallite_Li0,'convergedLi')
|
||||
call HDF5_read(fileHandle,crystallite_S0, 'convergedS')
|
||||
call HDF5_read(fileHandle,crystallite_F0, 'F')
|
||||
call HDF5_read(fileHandle,crystallite_Fp0,'Fp')
|
||||
call HDF5_read(fileHandle,crystallite_Fi0,'Fi')
|
||||
call HDF5_read(fileHandle,crystallite_Lp0,'Lp')
|
||||
call HDF5_read(fileHandle,crystallite_Li0,'Li')
|
||||
call HDF5_read(fileHandle,crystallite_S0, 'S')
|
||||
|
||||
groupPlasticID = HDF5_openGroup(fileHandle,'PlasticPhases')
|
||||
groupPlasticID = HDF5_openGroup(fileHandle,'constituent')
|
||||
do ph = 1,size(phase_plasticity)
|
||||
write(PlasticItem,*) ph,'_'
|
||||
call HDF5_read(groupPlasticID,plasticState(ph)%state0,trim(PlasticItem)//'convergedStateConst')
|
||||
call HDF5_read(groupPlasticID,plasticState(ph)%state0,trim(PlasticItem)//'omega_plastic')
|
||||
enddo
|
||||
call HDF5_closeGroup(groupPlasticID)
|
||||
|
||||
groupHomogID = HDF5_openGroup(fileHandle,'HomogStates')
|
||||
groupHomogID = HDF5_openGroup(fileHandle,'materialpoint')
|
||||
do homog = 1, material_Nhomogenization
|
||||
write(HomogItem,*) homog,'_'
|
||||
call HDF5_read(groupHomogID,homogState(homog)%state0, trim(HomogItem)//'convergedStateHomog')
|
||||
call HDF5_read(groupHomogID,homogState(homog)%state0, trim(HomogItem)//'omega_homogenization')
|
||||
enddo
|
||||
call HDF5_closeGroup(groupHomogID)
|
||||
|
||||
|
|
@ -118,13 +121,12 @@ end subroutine CPFEM_init
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forwards data after successful increment
|
||||
!> @brief Forward data after successful increment.
|
||||
! ToDo: Any guessing for the current states possible?
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine CPFEM_age
|
||||
|
||||
integer :: i, ph, homog, mySource
|
||||
character(len=32) :: rankStr, PlasticItem, HomogItem
|
||||
integer(HID_T) :: fileHandle, groupPlastic, groupHomog
|
||||
subroutine CPFEM_forward
|
||||
|
||||
integer :: i, homog, mySource
|
||||
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) &
|
||||
write(6,'(a)') '<< CPFEM >> aging states'
|
||||
|
|
@ -149,46 +151,52 @@ subroutine CPFEM_age
|
|||
damageState (homog)%state0 = damageState (homog)%state
|
||||
enddo
|
||||
|
||||
if (restartWrite) then
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) &
|
||||
write(6,'(a)') '<< CPFEM >> writing restart variables of last converged step to hdf5 file'
|
||||
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','a')
|
||||
|
||||
call HDF5_write(fileHandle,crystallite_F0, 'convergedF')
|
||||
call HDF5_write(fileHandle,crystallite_Fp0, 'convergedFp')
|
||||
call HDF5_write(fileHandle,crystallite_Fi0, 'convergedFi')
|
||||
call HDF5_write(fileHandle,crystallite_Lp0, 'convergedLp')
|
||||
call HDF5_write(fileHandle,crystallite_Li0, 'convergedLi')
|
||||
call HDF5_write(fileHandle,crystallite_S0, 'convergedS')
|
||||
|
||||
groupPlastic = HDF5_addGroup(fileHandle,'PlasticPhases')
|
||||
do ph = 1,size(phase_plasticity)
|
||||
write(PlasticItem,*) ph,'_'
|
||||
call HDF5_write(groupPlastic,plasticState(ph)%state0,trim(PlasticItem)//'convergedStateConst')
|
||||
enddo
|
||||
call HDF5_closeGroup(groupPlastic)
|
||||
|
||||
groupHomog = HDF5_addGroup(fileHandle,'HomogStates')
|
||||
do homog = 1, material_Nhomogenization
|
||||
write(HomogItem,*) homog,'_'
|
||||
call HDF5_write(groupHomog,homogState(homog)%state0,trim(HomogItem)//'convergedStateHomog')
|
||||
enddo
|
||||
call HDF5_closeGroup(groupHomog)
|
||||
|
||||
call HDF5_closeFile(fileHandle)
|
||||
restartWrite = .false.
|
||||
endif
|
||||
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) &
|
||||
write(6,'(a)') '<< CPFEM >> done aging states'
|
||||
|
||||
end subroutine CPFEM_age
|
||||
end subroutine CPFEM_forward
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief triggers writing of the results
|
||||
!> @brief Write current constitutive variables for restart to file.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine CPFEM_restartWrite
|
||||
|
||||
integer :: ph, homog
|
||||
character(len=32) :: rankStr, PlasticItem, HomogItem
|
||||
integer(HID_T) :: fileHandle, groupPlastic, groupHomog
|
||||
|
||||
|
||||
write(6,'(a)') ' writing constitutive data required for restart to file';flush(6)
|
||||
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','a')
|
||||
|
||||
call HDF5_write(fileHandle,crystallite_partionedF,'F')
|
||||
call HDF5_write(fileHandle,crystallite_Fp, 'Fp')
|
||||
call HDF5_write(fileHandle,crystallite_Fi, 'Fi')
|
||||
call HDF5_write(fileHandle,crystallite_Lp, 'Lp')
|
||||
call HDF5_write(fileHandle,crystallite_Li, 'Li')
|
||||
call HDF5_write(fileHandle,crystallite_S, 'S')
|
||||
|
||||
groupPlastic = HDF5_addGroup(fileHandle,'constituent')
|
||||
do ph = 1,size(phase_plasticity)
|
||||
write(PlasticItem,*) ph,'_'
|
||||
call HDF5_write(groupPlastic,plasticState(ph)%state,trim(PlasticItem)//'omega_plastic')
|
||||
enddo
|
||||
call HDF5_closeGroup(groupPlastic)
|
||||
|
||||
groupHomog = HDF5_addGroup(fileHandle,'materialpoint')
|
||||
do homog = 1, material_Nhomogenization
|
||||
write(HomogItem,*) homog,'_'
|
||||
call HDF5_write(groupHomog,homogState(homog)%state,trim(HomogItem)//'omega_homogenization')
|
||||
enddo
|
||||
call HDF5_closeGroup(groupHomog)
|
||||
|
||||
call HDF5_closeFile(fileHandle)
|
||||
|
||||
end subroutine CPFEM_restartWrite
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Trigger writing of results.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine CPFEM_results(inc,time)
|
||||
|
||||
|
|
|
|||
|
|
@ -21,7 +21,6 @@ module DAMASK_interface
|
|||
implicit none
|
||||
private
|
||||
character(len=4), dimension(2), parameter, public :: INPUTFILEEXTENSION = ['.pes','.inp']
|
||||
character(len=4), parameter, public :: LOGFILEEXTENSION = '.log'
|
||||
|
||||
public :: &
|
||||
DAMASK_interface_init, &
|
||||
|
|
|
|||
|
|
@ -41,8 +41,7 @@ module DAMASK_interface
|
|||
implicit none
|
||||
private
|
||||
|
||||
character(len=4), parameter, public :: InputFileExtension = '.dat'
|
||||
character(len=4), parameter, public :: LogFileExtension = '.log'
|
||||
character(len=4), parameter, public :: INPUTFILEEXTENSION = '.dat'
|
||||
|
||||
public :: &
|
||||
DAMASK_interface_init, &
|
||||
|
|
@ -363,37 +362,3 @@ subroutine uedinc(inc,incsub)
|
|||
call CPFEM_results(inc,cptim)
|
||||
|
||||
end subroutine uedinc
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets user defined output variables for Marc
|
||||
!> @details select a variable contour plotting (user subroutine).
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine plotv(v,s,sp,etot,eplas,ecreep,t,m,nn,layer,ndi,nshear,jpltcd)
|
||||
use prec
|
||||
use mesh
|
||||
use IO
|
||||
use homogenization
|
||||
|
||||
implicit none
|
||||
integer, intent(in) :: &
|
||||
m, & !< element number
|
||||
nn, & !< integration point number
|
||||
layer, & !< layer number
|
||||
ndi, & !< number of direct stress components
|
||||
nshear, & !< number of shear stress components
|
||||
jpltcd !< user variable index
|
||||
real(pReal), dimension(*), intent(in) :: &
|
||||
s, & !< stress array
|
||||
sp, & !< stresses in preferred direction
|
||||
etot, & !< total strain (generalized)
|
||||
eplas, & !< total plastic strain
|
||||
ecreep, & !< total creep strain
|
||||
t !< current temperature
|
||||
real(pReal), intent(out) :: &
|
||||
v !< variable
|
||||
|
||||
if (jpltcd > materialpoint_sizeResults) call IO_error(700,jpltcd) ! complain about out of bounds error
|
||||
v = materialpoint_results(jpltcd,nn,mesh_FEasCP('elem', m))
|
||||
|
||||
end subroutine plotv
|
||||
|
|
|
|||
|
|
@ -5,18 +5,13 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module FEsolving
|
||||
use prec
|
||||
use debug
|
||||
use IO
|
||||
use DAMASK_interface
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
logical, public :: &
|
||||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
restartRead = .false., & !< restart information to continue calculation from saved state
|
||||
#endif
|
||||
restartWrite = .false., & !< write current state to enable restart
|
||||
logical, public :: &
|
||||
terminallyIll = .false. !< at least one material point is terminally ill
|
||||
|
||||
integer, dimension(:,:), allocatable, public :: &
|
||||
|
|
@ -26,9 +21,7 @@ module FEsolving
|
|||
|
||||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
logical, public, protected :: &
|
||||
symmetricSolver = .false. !< use a symmetric FEM solver (only Abaqus)
|
||||
character(len=1024), public :: &
|
||||
modelName !< needs description
|
||||
symmetricSolver = .false. !< use a symmetric FEM solver
|
||||
logical, dimension(:,:), allocatable, public :: &
|
||||
calcMode !< do calculation or simply collect when using ping pong scheme
|
||||
|
||||
|
|
@ -37,90 +30,36 @@ module FEsolving
|
|||
|
||||
contains
|
||||
|
||||
|
||||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief determine whether a symmetric solver is used and whether restart is requested
|
||||
!> @details restart information is found in input file in case of FEM solvers, in case of spectal
|
||||
!> solver the information is provided by the interface module
|
||||
!> @brief determine whether a symmetric solver is used
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine FE_init
|
||||
|
||||
integer, parameter :: &
|
||||
FILEUNIT = 222
|
||||
integer :: j
|
||||
character(len=65536) :: tag, line
|
||||
integer, allocatable, dimension(:) :: chunkPos
|
||||
|
||||
write(6,'(/,a)') ' <<<+- FEsolving init -+>>>'
|
||||
|
||||
modelName = getSolverJobName()
|
||||
call IO_open_inputFile(FILEUNIT,modelName)
|
||||
rewind(FILEUNIT)
|
||||
do
|
||||
read (FILEUNIT,'(a1024)',END=100) line
|
||||
chunkPos = IO_stringPos(line)
|
||||
tag = IO_lc(IO_stringValue(line,chunkPos,1)) ! extract key
|
||||
select case(tag)
|
||||
case ('solver')
|
||||
read (FILEUNIT,'(a1024)',END=100) line ! next line
|
||||
|
||||
#if defined(Marc4DAMASK)
|
||||
block
|
||||
integer, parameter :: FILEUNIT = 222
|
||||
character(len=pStringLen) :: line
|
||||
integer, allocatable, dimension(:) :: chunkPos
|
||||
call IO_open_inputFile(FILEUNIT)
|
||||
rewind(FILEUNIT)
|
||||
do
|
||||
read (FILEUNIT,'(a256)',END=100) line
|
||||
chunkPos = IO_stringPos(line)
|
||||
if(IO_lc(IO_stringValue(line,chunkPos,1)) == 'solver') then
|
||||
read (FILEUNIT,'(a256)',END=100) line ! next line
|
||||
chunkPos = IO_stringPos(line)
|
||||
symmetricSolver = (IO_intValue(line,chunkPos,2) /= 1)
|
||||
case ('restart')
|
||||
read (FILEUNIT,'(a1024)',END=100) line ! next line
|
||||
chunkPos = IO_stringPos(line)
|
||||
restartWrite = iand(IO_intValue(line,chunkPos,1),1) > 0
|
||||
restartRead = iand(IO_intValue(line,chunkPos,1),2) > 0
|
||||
case ('*restart')
|
||||
do j=2,chunkPos(1)
|
||||
restartWrite = (IO_lc(IO_StringValue(line,chunkPos,j)) == 'write') .or. restartWrite
|
||||
restartRead = (IO_lc(IO_StringValue(line,chunkPos,j)) == 'read') .or. restartRead
|
||||
enddo
|
||||
if(restartWrite) then
|
||||
do j=2,chunkPos(1)
|
||||
restartWrite = (IO_lc(IO_StringValue(line,chunkPos,j)) /= 'frequency=0') .and. restartWrite
|
||||
enddo
|
||||
endif
|
||||
end select
|
||||
enddo
|
||||
100 close(FILEUNIT)
|
||||
|
||||
if (restartRead) then
|
||||
#ifdef Marc4DAMASK
|
||||
call IO_open_logFile(FILEUNIT)
|
||||
rewind(FILEUNIT)
|
||||
do
|
||||
read (FILEUNIT,'(a1024)',END=200) line
|
||||
chunkPos = IO_stringPos(line)
|
||||
if ( IO_lc(IO_stringValue(line,chunkPos,1)) == 'restart' &
|
||||
.and. IO_lc(IO_stringValue(line,chunkPos,2)) == 'file' &
|
||||
.and. IO_lc(IO_stringValue(line,chunkPos,3)) == 'job' &
|
||||
.and. IO_lc(IO_stringValue(line,chunkPos,4)) == 'id' ) &
|
||||
modelName = IO_StringValue(line,chunkPos,6)
|
||||
enddo
|
||||
#else
|
||||
call IO_open_inputFile(FILEUNIT,modelName)
|
||||
rewind(FILEUNIT)
|
||||
do
|
||||
read (FILEUNIT,'(a1024)',END=200) line
|
||||
chunkPos = IO_stringPos(line)
|
||||
if (IO_lc(IO_stringValue(line,chunkPos,1))=='*heading') then
|
||||
read (FILEUNIT,'(a1024)',END=200) line
|
||||
chunkPos = IO_stringPos(line)
|
||||
modelName = IO_StringValue(line,chunkPos,1)
|
||||
endif
|
||||
enddo
|
||||
100 close(FILEUNIT)
|
||||
end block
|
||||
#endif
|
||||
200 close(FILEUNIT)
|
||||
endif
|
||||
|
||||
if (iand(debug_level(debug_FEsolving),debug_levelBasic) /= 0) then
|
||||
write(6,'(a21,l1)') ' restart writing: ', restartWrite
|
||||
write(6,'(a21,l1)') ' restart reading: ', restartRead
|
||||
if (restartRead) write(6,'(a,/)') ' restart Job: '//trim(modelName)
|
||||
endif
|
||||
|
||||
end subroutine FE_init
|
||||
#endif
|
||||
|
||||
|
||||
end module FEsolving
|
||||
|
|
|
|||
43
src/IO.f90
43
src/IO.f90
|
|
@ -37,7 +37,6 @@ module IO
|
|||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
public :: &
|
||||
IO_open_inputFile, &
|
||||
IO_open_logFile, &
|
||||
IO_countContinuousIntValues, &
|
||||
IO_continuousIntValues, &
|
||||
#if defined(Abaqus)
|
||||
|
|
@ -207,27 +206,26 @@ end function IO_open_binary
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief opens FEM input file for reading located in current working directory to given unit
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine IO_open_inputFile(fileUnit,modelName)
|
||||
subroutine IO_open_inputFile(fileUnit)
|
||||
|
||||
integer, intent(in) :: fileUnit !< file unit
|
||||
character(len=*), intent(in) :: modelName !< model name, in case of restart not solver job name
|
||||
|
||||
integer :: myStat
|
||||
character(len=1024) :: path
|
||||
#if defined(Abaqus)
|
||||
integer :: fileType
|
||||
|
||||
|
||||
fileType = 1 ! assume .pes
|
||||
path = trim(modelName)//inputFileExtension(fileType) ! attempt .pes, if it exists: it should be used
|
||||
path = trim(getSolverJobName())//inputFileExtension(fileType) ! attempt .pes, if it exists: it should be used
|
||||
open(fileUnit+1,status='old',iostat=myStat,file=path,action='read',position='rewind')
|
||||
if(myStat /= 0) then ! if .pes does not work / exist; use conventional extension, i.e.".inp"
|
||||
fileType = 2
|
||||
path = trim(modelName)//inputFileExtension(fileType)
|
||||
path = trim(getSolverJobName())//inputFileExtension(fileType)
|
||||
open(fileUnit+1,status='old',iostat=myStat,file=path,action='read',position='rewind')
|
||||
endif
|
||||
if (myStat /= 0) call IO_error(100,el=myStat,ext_msg=path)
|
||||
|
||||
path = trim(modelName)//inputFileExtension(fileType)//'_assembly'
|
||||
path = trim(getSolverJobName())//inputFileExtension(fileType)//'_assembly'
|
||||
open(fileUnit,iostat=myStat,file=path)
|
||||
if (myStat /= 0) call IO_error(100,el=myStat,ext_msg=path)
|
||||
if (.not.abaqus_assembleInputFile(fileUnit,fileUnit+1)) call IO_error(103) ! strip comments and concatenate any "include"s
|
||||
|
|
@ -258,10 +256,8 @@ subroutine IO_open_inputFile(fileUnit,modelName)
|
|||
fname = trim(line(9+scan(line(9:),'='):))
|
||||
inquire(file=fname, exist=fexist)
|
||||
if (.not.(fexist)) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,*)'ERROR: file does not exist error in abaqus_assembleInputFile'
|
||||
write(6,*)'filename: ', trim(fname)
|
||||
!$OMP END CRITICAL (write2out)
|
||||
write(6,*)'ERROR: file does not exist error in abaqus_assembleInputFile'
|
||||
write(6,*)'filename: ', trim(fname)
|
||||
createSuccess = .false.
|
||||
return
|
||||
endif
|
||||
|
|
@ -285,30 +281,12 @@ subroutine IO_open_inputFile(fileUnit,modelName)
|
|||
|
||||
end function abaqus_assembleInputFile
|
||||
#elif defined(Marc4DAMASK)
|
||||
path = trim(modelName)//inputFileExtension
|
||||
path = trim(getSolverJobName())//inputFileExtension
|
||||
open(fileUnit,status='old',iostat=myStat,file=path)
|
||||
if (myStat /= 0) call IO_error(100,el=myStat,ext_msg=path)
|
||||
#endif
|
||||
|
||||
end subroutine IO_open_inputFile
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief opens existing FEM log file for reading to given unit. File is named after solver job
|
||||
!! name and located in current working directory
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine IO_open_logFile(fileUnit)
|
||||
|
||||
integer, intent(in) :: fileUnit !< file unit
|
||||
|
||||
integer :: myStat
|
||||
character(len=1024) :: path
|
||||
|
||||
path = trim(getSolverJobName())//LogFileExtension
|
||||
open(fileUnit,status='old',iostat=myStat,file=path,action='read',position='rewind')
|
||||
if (myStat /= 0) call IO_error(100,el=myStat,ext_msg=path)
|
||||
|
||||
end subroutine IO_open_logFile
|
||||
#endif
|
||||
|
||||
|
||||
|
|
@ -734,11 +712,6 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
|||
case (602)
|
||||
msg = 'invalid selection for debug'
|
||||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! DAMASK_marc errors
|
||||
case (700)
|
||||
msg = 'invalid materialpoint result requested'
|
||||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! errors related to the grid solver
|
||||
case (809)
|
||||
|
|
|
|||
|
|
@ -85,6 +85,7 @@ subroutine config_init
|
|||
case (trim('crystallite'))
|
||||
call parse_materialConfig(config_name_crystallite,config_crystallite,line,fileContent(i+1:))
|
||||
if (verbose) write(6,'(a)') ' Crystallite parsed'; flush(6)
|
||||
deallocate(config_crystallite)
|
||||
|
||||
case (trim('homogenization'))
|
||||
call parse_materialConfig(config_name_homogenization,config_homogenization,line,fileContent(i+1:))
|
||||
|
|
@ -102,27 +103,25 @@ subroutine config_init
|
|||
call IO_error(160,ext_msg='<homogenization>')
|
||||
if (.not. allocated(config_microstructure) .or. size(config_microstructure) < 1) &
|
||||
call IO_error(160,ext_msg='<microstructure>')
|
||||
if (.not. allocated(config_crystallite) .or. size(config_crystallite) < 1) &
|
||||
call IO_error(160,ext_msg='<crystallite>')
|
||||
if (.not. allocated(config_phase) .or. size(config_phase) < 1) &
|
||||
call IO_error(160,ext_msg='<phase>')
|
||||
if (.not. allocated(config_texture) .or. size(config_texture) < 1) &
|
||||
call IO_error(160,ext_msg='<texture>')
|
||||
|
||||
|
||||
inquire(file='numerics.config', exist=fileExists)
|
||||
if (fileExists) then
|
||||
write(6,'(/,a)') ' reading numerics.config'; flush(6)
|
||||
fileContent = IO_read_ASCII('numerics.config')
|
||||
call parse_debugAndNumericsConfig(config_numerics,fileContent)
|
||||
endif
|
||||
inquire(file='numerics.config', exist=fileExists)
|
||||
if (fileExists) then
|
||||
write(6,'(/,a)') ' reading numerics.config'; flush(6)
|
||||
fileContent = IO_read_ASCII('numerics.config')
|
||||
call parse_debugAndNumericsConfig(config_numerics,fileContent)
|
||||
endif
|
||||
|
||||
inquire(file='debug.config', exist=fileExists)
|
||||
if (fileExists) then
|
||||
write(6,'(/,a)') ' reading debug.config'; flush(6)
|
||||
fileContent = IO_read_ASCII('debug.config')
|
||||
call parse_debugAndNumericsConfig(config_debug,fileContent)
|
||||
endif
|
||||
inquire(file='debug.config', exist=fileExists)
|
||||
if (fileExists) then
|
||||
write(6,'(/,a)') ' reading debug.config'; flush(6)
|
||||
fileContent = IO_read_ASCII('debug.config')
|
||||
call parse_debugAndNumericsConfig(config_debug,fileContent)
|
||||
endif
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -295,9 +294,6 @@ subroutine config_deallocate(what)
|
|||
case('material.config/microstructure')
|
||||
deallocate(config_microstructure)
|
||||
|
||||
case('material.config/crystallite')
|
||||
deallocate(config_crystallite)
|
||||
|
||||
case('material.config/homogenization')
|
||||
deallocate(config_homogenization)
|
||||
|
||||
|
|
|
|||
|
|
@ -13,7 +13,6 @@ module constitutive
|
|||
use results
|
||||
use HDF5_utilities
|
||||
use lattice
|
||||
use mesh
|
||||
use discretization
|
||||
use plastic_none
|
||||
use plastic_isotropic
|
||||
|
|
@ -37,7 +36,6 @@ module constitutive
|
|||
private
|
||||
|
||||
integer, public, protected :: &
|
||||
constitutive_plasticity_maxSizePostResults, &
|
||||
constitutive_plasticity_maxSizeDotState, &
|
||||
constitutive_source_maxSizePostResults, &
|
||||
constitutive_source_maxSizeDotState
|
||||
|
|
@ -73,8 +71,7 @@ subroutine constitutive_init
|
|||
integer, dimension(:,:), pointer :: thisSize
|
||||
character(len=64), dimension(:,:), pointer :: thisOutput
|
||||
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
||||
logical :: knownPlasticity, knownSource, nonlocalConstitutionPresent
|
||||
nonlocalConstitutionPresent = .false.
|
||||
logical :: knownSource
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialized plasticity
|
||||
|
|
@ -112,64 +109,11 @@ subroutine constitutive_init
|
|||
call IO_write_jobFile(FILEUNIT,'outputConstitutive')
|
||||
PhaseLoop: do ph = 1,material_Nphase
|
||||
activePhase: if (any(material_phaseAt == ph)) then
|
||||
ins = phase_plasticityInstance(ph)
|
||||
knownPlasticity = .true. ! assume valid
|
||||
plasticityType: select case(phase_plasticity(ph))
|
||||
case (PLASTICITY_NONE_ID) plasticityType
|
||||
outputName = PLASTICITY_NONE_label
|
||||
thisOutput => null()
|
||||
thisSize => null()
|
||||
case (PLASTICITY_ISOTROPIC_ID) plasticityType
|
||||
outputName = PLASTICITY_ISOTROPIC_label
|
||||
thisOutput => plastic_isotropic_output
|
||||
thisSize => plastic_isotropic_sizePostResult
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
outputName = PLASTICITY_PHENOPOWERLAW_label
|
||||
thisOutput => plastic_phenopowerlaw_output
|
||||
thisSize => plastic_phenopowerlaw_sizePostResult
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
outputName = PLASTICITY_KINEHARDENING_label
|
||||
thisOutput => plastic_kinehardening_output
|
||||
thisSize => plastic_kinehardening_sizePostResult
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
outputName = PLASTICITY_DISLOTWIN_label
|
||||
thisOutput => plastic_dislotwin_output
|
||||
thisSize => plastic_dislotwin_sizePostResult
|
||||
case (PLASTICITY_DISLOUCLA_ID) plasticityType
|
||||
outputName = PLASTICITY_DISLOUCLA_label
|
||||
thisOutput => plastic_disloucla_output
|
||||
thisSize => plastic_disloucla_sizePostResult
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticityType
|
||||
outputName = PLASTICITY_NONLOCAL_label
|
||||
thisOutput => plastic_nonlocal_output
|
||||
thisSize => plastic_nonlocal_sizePostResult
|
||||
case default plasticityType
|
||||
knownPlasticity = .false.
|
||||
end select plasticityType
|
||||
write(FILEUNIT,'(/,a,/)') '['//trim(config_name_phase(ph))//']'
|
||||
if (knownPlasticity) then
|
||||
write(FILEUNIT,'(a)') '(plasticity)'//char(9)//trim(outputName)
|
||||
if (phase_plasticity(ph) /= PLASTICITY_NONE_ID) then
|
||||
OutputPlasticityLoop: do o = 1,size(thisOutput(:,ins))
|
||||
if(len_trim(thisOutput(o,ins)) > 0) &
|
||||
write(FILEUNIT,'(a,i4)') trim(thisOutput(o,ins))//char(9),thisSize(o,ins)
|
||||
enddo OutputPlasticityLoop
|
||||
endif
|
||||
endif
|
||||
|
||||
SourceLoop: do s = 1, phase_Nsources(ph)
|
||||
knownSource = .true. ! assume valid
|
||||
knownSource = .true. ! assume valid
|
||||
sourceType: select case (phase_source(s,ph))
|
||||
case (SOURCE_thermal_dissipation_ID) sourceType
|
||||
ins = source_thermal_dissipation_instance(ph)
|
||||
outputName = SOURCE_thermal_dissipation_label
|
||||
thisOutput => source_thermal_dissipation_output
|
||||
thisSize => source_thermal_dissipation_sizePostResult
|
||||
case (SOURCE_thermal_externalheat_ID) sourceType
|
||||
ins = source_thermal_externalheat_instance(ph)
|
||||
outputName = SOURCE_thermal_externalheat_label
|
||||
thisOutput => source_thermal_externalheat_output
|
||||
thisSize => source_thermal_externalheat_sizePostResult
|
||||
case (SOURCE_damage_isoBrittle_ID) sourceType
|
||||
ins = source_damage_isoBrittle_instance(ph)
|
||||
outputName = SOURCE_damage_isoBrittle_label
|
||||
|
|
@ -207,7 +151,6 @@ subroutine constitutive_init
|
|||
endif mainProcess
|
||||
|
||||
constitutive_plasticity_maxSizeDotState = 0
|
||||
constitutive_plasticity_maxSizePostResults = 0
|
||||
constitutive_source_maxSizeDotState = 0
|
||||
constitutive_source_maxSizePostResults = 0
|
||||
|
||||
|
|
@ -224,8 +167,6 @@ subroutine constitutive_init
|
|||
! determine max size of state and output
|
||||
constitutive_plasticity_maxSizeDotState = max(constitutive_plasticity_maxSizeDotState, &
|
||||
plasticState(ph)%sizeDotState)
|
||||
constitutive_plasticity_maxSizePostResults = max(constitutive_plasticity_maxSizePostResults, &
|
||||
plasticState(ph)%sizePostResults)
|
||||
constitutive_source_maxSizeDotState = max(constitutive_source_maxSizeDotState, &
|
||||
maxval(sourceState(ph)%p(:)%sizeDotState))
|
||||
constitutive_source_maxSizePostResults = max(constitutive_source_maxSizePostResults, &
|
||||
|
|
@ -707,61 +648,21 @@ function constitutive_postResults(S, Fi, ipc, ip, el)
|
|||
ipc, & !< component-ID of integration point
|
||||
ip, & !< integration point
|
||||
el !< element
|
||||
real(pReal), dimension(plasticState(material_phaseAt(ipc,el))%sizePostResults + &
|
||||
sum(sourceState(material_phaseAt(ipc,el))%p(:)%sizePostResults)) :: &
|
||||
real(pReal), dimension(sum(sourceState(material_phaseAt(ipc,el))%p(:)%sizePostResults)) :: &
|
||||
constitutive_postResults
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
Fi !< intermediate deformation gradient
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
S !< 2nd Piola Kirchhoff stress
|
||||
real(pReal), dimension(3,3) :: &
|
||||
Mp !< Mandel stress
|
||||
integer :: &
|
||||
startPos, endPos
|
||||
integer :: &
|
||||
ho, & !< homogenization
|
||||
tme, & !< thermal member position
|
||||
i, of, instance !< counter in source loop
|
||||
|
||||
constitutive_postResults = 0.0_pReal
|
||||
|
||||
Mp = matmul(matmul(transpose(Fi),Fi),S)
|
||||
|
||||
ho = material_homogenizationAt(el)
|
||||
tme = thermalMapping(ho)%p(ip,el)
|
||||
|
||||
startPos = 1
|
||||
endPos = plasticState(material_phaseAt(ipc,el))%sizePostResults
|
||||
|
||||
of = material_phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
|
||||
|
||||
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
|
||||
case (PLASTICITY_ISOTROPIC_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_isotropic_postResults(Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_phenopowerlaw_postResults(Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_kinehardening_postResults(Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_dislotwin_postResults(Mp,temperature(ho)%p(tme),instance,of)
|
||||
|
||||
case (PLASTICITY_DISLOUCLA_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_disloucla_postResults(Mp,temperature(ho)%p(tme),instance,of)
|
||||
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_nonlocal_postResults (material_phaseAt(ipc,el),instance,of)
|
||||
|
||||
end select plasticityType
|
||||
endPos = 0
|
||||
|
||||
SourceLoop: do i = 1, phase_Nsources(material_phaseAt(ipc,el))
|
||||
startPos = endPos + 1
|
||||
|
|
|
|||
|
|
@ -16,29 +16,16 @@ module crystallite
|
|||
use numerics
|
||||
use rotations
|
||||
use math
|
||||
use mesh
|
||||
use FEsolving
|
||||
use material
|
||||
use constitutive
|
||||
use discretization
|
||||
use lattice
|
||||
use plastic_nonlocal
|
||||
use geometry_plastic_nonlocal, only: &
|
||||
nIPneighbors => geometry_plastic_nonlocal_nIPneighbors, &
|
||||
IPneighborhood => geometry_plastic_nonlocal_IPneighborhood
|
||||
use HDF5_utilities
|
||||
use results
|
||||
|
||||
implicit none
|
||||
private
|
||||
character(len=64), dimension(:,:), allocatable :: &
|
||||
crystallite_output !< name of each post result output
|
||||
integer, public, protected :: &
|
||||
crystallite_maxSizePostResults !< description not available
|
||||
integer, dimension(:), allocatable, public, protected :: &
|
||||
crystallite_sizePostResults !< description not available
|
||||
integer, dimension(:,:), allocatable :: &
|
||||
crystallite_sizePostResult !< description not available
|
||||
|
||||
real(pReal), dimension(:,:,:), allocatable, public :: &
|
||||
crystallite_dt !< requested time increment of each grain
|
||||
|
|
@ -89,27 +76,6 @@ module crystallite
|
|||
crystallite_todo, & !< flag to indicate need for further computation
|
||||
crystallite_localPlasticity !< indicates this grain to have purely local constitutive law
|
||||
|
||||
enum, bind(c)
|
||||
enumerator :: undefined_ID, &
|
||||
phase_ID, &
|
||||
texture_ID, &
|
||||
orientation_ID, &
|
||||
grainrotation_ID, &
|
||||
defgrad_ID, &
|
||||
fe_ID, &
|
||||
fp_ID, &
|
||||
fi_ID, &
|
||||
lp_ID, &
|
||||
li_ID, &
|
||||
p_ID, &
|
||||
s_ID, &
|
||||
elasmatrix_ID, &
|
||||
neighboringip_ID, &
|
||||
neighboringelement_ID
|
||||
end enum
|
||||
integer(kind(undefined_ID)),dimension(:,:), allocatable :: &
|
||||
crystallite_outputID !< ID of each post result output
|
||||
|
||||
type :: tOutput !< new requested output (per phase)
|
||||
character(len=65536), allocatable, dimension(:) :: &
|
||||
label
|
||||
|
|
@ -159,15 +125,10 @@ subroutine crystallite_init
|
|||
c, & !< counter in integration point component loop
|
||||
i, & !< counter in integration point loop
|
||||
e, & !< counter in element loop
|
||||
o = 0, & !< counter in output loop
|
||||
r, &
|
||||
cMax, & !< maximum number of integration point components
|
||||
iMax, & !< maximum number of integration points
|
||||
eMax, & !< maximum number of elements
|
||||
myNcomponents, & !< number of components at current IP
|
||||
mySize
|
||||
|
||||
character(len=65536), dimension(:), allocatable :: str
|
||||
myNcomponents !< number of components at current IP
|
||||
|
||||
write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
|
||||
|
||||
|
|
@ -214,13 +175,6 @@ subroutine crystallite_init
|
|||
allocate(crystallite_requested(cMax,iMax,eMax), source=.false.)
|
||||
allocate(crystallite_todo(cMax,iMax,eMax), source=.false.)
|
||||
allocate(crystallite_converged(cMax,iMax,eMax), source=.true.)
|
||||
allocate(crystallite_output(maxval(crystallite_Noutput), &
|
||||
size(config_crystallite))) ; crystallite_output = ''
|
||||
allocate(crystallite_outputID(maxval(crystallite_Noutput), &
|
||||
size(config_crystallite)), source=undefined_ID)
|
||||
allocate(crystallite_sizePostResults(size(config_crystallite)),source=0)
|
||||
allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
|
||||
size(config_crystallite)), source=0)
|
||||
|
||||
num%subStepMinCryst = config_numerics%getFloat('substepmincryst', defaultVal=1.0e-3_pReal)
|
||||
num%subStepSizeCryst = config_numerics%getFloat('substepsizecryst', defaultVal=0.25_pReal)
|
||||
|
|
@ -267,55 +221,6 @@ subroutine crystallite_init
|
|||
integrateState => integrateStateRKCK45
|
||||
end select
|
||||
|
||||
|
||||
|
||||
do c = 1, size(config_crystallite)
|
||||
#if defined(__GFORTRAN__)
|
||||
str = ['GfortranBug86277']
|
||||
str = config_crystallite(c)%getStrings('(output)',defaultVal=str)
|
||||
if (str(1) == 'GfortranBug86277') str = [character(len=65536)::]
|
||||
#else
|
||||
str = config_crystallite(c)%getStrings('(output)',defaultVal=[character(len=65536)::])
|
||||
#endif
|
||||
do o = 1, size(str)
|
||||
crystallite_output(o,c) = str(o)
|
||||
outputName: select case(str(o))
|
||||
case ('phase') outputName
|
||||
crystallite_outputID(o,c) = phase_ID
|
||||
case ('texture') outputName
|
||||
crystallite_outputID(o,c) = texture_ID
|
||||
case ('orientation') outputName
|
||||
crystallite_outputID(o,c) = orientation_ID
|
||||
case ('grainrotation') outputName
|
||||
crystallite_outputID(o,c) = grainrotation_ID
|
||||
case ('defgrad','f') outputName ! ToDo: no alias (f only)
|
||||
crystallite_outputID(o,c) = defgrad_ID
|
||||
case ('fe') outputName
|
||||
crystallite_outputID(o,c) = fe_ID
|
||||
case ('fp') outputName
|
||||
crystallite_outputID(o,c) = fp_ID
|
||||
case ('fi') outputName
|
||||
crystallite_outputID(o,c) = fi_ID
|
||||
case ('lp') outputName
|
||||
crystallite_outputID(o,c) = lp_ID
|
||||
case ('li') outputName
|
||||
crystallite_outputID(o,c) = li_ID
|
||||
case ('p','firstpiola','1stpiola') outputName ! ToDo: no alias (p only)
|
||||
crystallite_outputID(o,c) = p_ID
|
||||
case ('s','tstar','secondpiola','2ndpiola') outputName ! ToDo: no alias (s only)
|
||||
crystallite_outputID(o,c) = s_ID
|
||||
case ('elasmatrix') outputName
|
||||
crystallite_outputID(o,c) = elasmatrix_ID
|
||||
case ('neighboringip') outputName ! ToDo: this is not a result, it is static. Should be written out by mesh
|
||||
crystallite_outputID(o,c) = neighboringip_ID
|
||||
case ('neighboringelement') outputName ! ToDo: this is not a result, it is static. Should be written out by mesh
|
||||
crystallite_outputID(o,c) = neighboringelement_ID
|
||||
case default outputName
|
||||
call IO_error(105,ext_msg=trim(str(o))//' (Crystallite)')
|
||||
end select outputName
|
||||
enddo
|
||||
enddo
|
||||
|
||||
allocate(output_constituent(size(config_phase)))
|
||||
do c = 1, size(config_phase)
|
||||
#if defined(__GFORTRAN__)
|
||||
|
|
@ -328,51 +233,14 @@ subroutine crystallite_init
|
|||
#endif
|
||||
enddo
|
||||
|
||||
|
||||
do r = 1,size(config_crystallite)
|
||||
do o = 1,crystallite_Noutput(r)
|
||||
select case(crystallite_outputID(o,r))
|
||||
case(phase_ID,texture_ID)
|
||||
mySize = 1
|
||||
case(orientation_ID,grainrotation_ID)
|
||||
mySize = 4
|
||||
case(defgrad_ID,fe_ID,fp_ID,fi_ID,lp_ID,li_ID,p_ID,s_ID)
|
||||
mySize = 9
|
||||
case(elasmatrix_ID)
|
||||
mySize = 36
|
||||
case(neighboringip_ID,neighboringelement_ID)
|
||||
mySize = nIPneighbors
|
||||
case default
|
||||
mySize = 0
|
||||
end select
|
||||
crystallite_sizePostResult(o,r) = mySize
|
||||
crystallite_sizePostResults(r) = crystallite_sizePostResults(r) + mySize
|
||||
enddo
|
||||
enddo
|
||||
|
||||
crystallite_maxSizePostResults = &
|
||||
maxval(crystallite_sizePostResults(microstructure_crystallite),microstructure_active)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write description file for crystallite output
|
||||
if (worldrank == 0) then
|
||||
call IO_write_jobFile(FILEUNIT,'outputCrystallite')
|
||||
|
||||
do r = 1,size(config_crystallite)
|
||||
if (any(microstructure_crystallite(discretization_microstructureAt) == r)) then
|
||||
write(FILEUNIT,'(/,a,/)') '['//trim(config_name_crystallite(r))//']'
|
||||
do o = 1,crystallite_Noutput(r)
|
||||
write(FILEUNIT,'(a,i4)') trim(crystallite_output(o,r))//char(9),crystallite_sizePostResult(o,r)
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
|
||||
write(FILEUNIT,'(/,a,/)') '[not supported anymore]'
|
||||
close(FILEUNIT)
|
||||
endif
|
||||
|
||||
call config_deallocate('material.config/phase')
|
||||
call config_deallocate('material.config/crystallite')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize
|
||||
|
|
@ -874,96 +742,18 @@ function crystallite_postResults(ipc, ip, el)
|
|||
ip, & !< integration point index
|
||||
ipc !< grain index
|
||||
|
||||
real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(discretization_microstructureAt(el))) + &
|
||||
1+plasticState(material_phaseAt(ipc,el))%sizePostResults + &
|
||||
sum(sourceState(material_phaseAt(ipc,el))%p(:)%sizePostResults)) :: &
|
||||
real(pReal), dimension(1+ &
|
||||
1+sum(sourceState(material_phaseAt(ipc,el))%p(:)%sizePostResults)) :: &
|
||||
crystallite_postResults
|
||||
integer :: &
|
||||
o, &
|
||||
c, &
|
||||
crystID, &
|
||||
mySize, &
|
||||
n
|
||||
type(rotation) :: rot
|
||||
c
|
||||
|
||||
crystID = microstructure_crystallite(discretization_microstructureAt(el))
|
||||
|
||||
crystallite_postResults = 0.0_pReal
|
||||
crystallite_postResults(1) = real(crystallite_sizePostResults(crystID),pReal) ! header-like information (length)
|
||||
crystallite_postResults(1) = 0.0_pReal ! header-like information (length)
|
||||
c = 1
|
||||
|
||||
do o = 1,crystallite_Noutput(crystID)
|
||||
mySize = 0
|
||||
select case(crystallite_outputID(o,crystID))
|
||||
case (phase_ID)
|
||||
mySize = 1
|
||||
crystallite_postResults(c+1) = real(material_phaseAt(ipc,el),pReal) ! phaseID of grain
|
||||
case (texture_ID)
|
||||
mySize = 1
|
||||
crystallite_postResults(c+1) = real(material_texture(ipc,ip,el),pReal) ! textureID of grain
|
||||
case (orientation_ID)
|
||||
mySize = 4
|
||||
crystallite_postResults(c+1:c+mySize) = crystallite_orientation(ipc,ip,el)%asQuaternion()
|
||||
|
||||
case (grainrotation_ID)
|
||||
rot = material_orientation0(ipc,ip,el)%misorientation(crystallite_orientation(ipc,ip,el))
|
||||
mySize = 4
|
||||
crystallite_postResults(c+1:c+mySize) = rot%asAxisAngle()
|
||||
crystallite_postResults(c+4) = inDeg * crystallite_postResults(c+4) ! angle in degree
|
||||
|
||||
! remark: tensor output is of the form 11,12,13, 21,22,23, 31,32,33
|
||||
! thus row index i is slow, while column index j is fast. reminder: "row is slow"
|
||||
|
||||
case (defgrad_ID)
|
||||
mySize = 9
|
||||
crystallite_postResults(c+1:c+mySize) = &
|
||||
reshape(transpose(crystallite_partionedF(1:3,1:3,ipc,ip,el)),[mySize])
|
||||
case (fe_ID)
|
||||
mySize = 9
|
||||
crystallite_postResults(c+1:c+mySize) = &
|
||||
reshape(transpose(crystallite_Fe(1:3,1:3,ipc,ip,el)),[mySize])
|
||||
case (fp_ID)
|
||||
mySize = 9
|
||||
crystallite_postResults(c+1:c+mySize) = &
|
||||
reshape(transpose(crystallite_Fp(1:3,1:3,ipc,ip,el)),[mySize])
|
||||
case (fi_ID)
|
||||
mySize = 9
|
||||
crystallite_postResults(c+1:c+mySize) = &
|
||||
reshape(transpose(crystallite_Fi(1:3,1:3,ipc,ip,el)),[mySize])
|
||||
case (lp_ID)
|
||||
mySize = 9
|
||||
crystallite_postResults(c+1:c+mySize) = &
|
||||
reshape(transpose(crystallite_Lp(1:3,1:3,ipc,ip,el)),[mySize])
|
||||
case (li_ID)
|
||||
mySize = 9
|
||||
crystallite_postResults(c+1:c+mySize) = &
|
||||
reshape(transpose(crystallite_Li(1:3,1:3,ipc,ip,el)),[mySize])
|
||||
case (p_ID)
|
||||
mySize = 9
|
||||
crystallite_postResults(c+1:c+mySize) = &
|
||||
reshape(transpose(crystallite_P(1:3,1:3,ipc,ip,el)),[mySize])
|
||||
case (s_ID)
|
||||
mySize = 9
|
||||
crystallite_postResults(c+1:c+mySize) = &
|
||||
reshape(crystallite_S(1:3,1:3,ipc,ip,el),[mySize])
|
||||
case (elasmatrix_ID)
|
||||
mySize = 36
|
||||
crystallite_postResults(c+1:c+mySize) = reshape(constitutive_homogenizedC(ipc,ip,el),[mySize])
|
||||
case(neighboringelement_ID)
|
||||
mySize = nIPneighbors
|
||||
crystallite_postResults(c+1:c+mySize) = 0.0_pReal
|
||||
forall (n = 1:mySize) &
|
||||
crystallite_postResults(c+n) = real(IPneighborhood(1,n,ip,el),pReal)
|
||||
case(neighboringip_ID)
|
||||
mySize = nIPneighbors
|
||||
crystallite_postResults(c+1:c+mySize) = 0.0_pReal
|
||||
forall (n = 1:mySize) &
|
||||
crystallite_postResults(c+n) = real(IPneighborhood(2,n,ip,el),pReal)
|
||||
end select
|
||||
c = c + mySize
|
||||
enddo
|
||||
|
||||
crystallite_postResults(c+1) = real(plasticState(material_phaseAt(ipc,el))%sizePostResults,pReal) ! size of constitutive results
|
||||
crystallite_postResults(c+1) = real(sum(sourceState(material_phaseAt(ipc,el))%p(:)%sizePostResults),pReal) ! size of constitutive results
|
||||
c = c + 1
|
||||
if (size(crystallite_postResults)-c > 0) &
|
||||
crystallite_postResults(c+1:size(crystallite_postResults)) = &
|
||||
|
|
@ -986,7 +776,7 @@ subroutine crystallite_results
|
|||
do p=1,size(config_name_phase)
|
||||
group = trim('current/constituent')//'/'//trim(config_name_phase(p))//'/generic'
|
||||
|
||||
call HDF5_closeGroup(results_addGroup(group))
|
||||
call results_closeGroup(results_addGroup(group))
|
||||
|
||||
do o = 1, size(output_constituent(p)%label)
|
||||
select case (output_constituent(p)%label(o))
|
||||
|
|
@ -1056,16 +846,16 @@ subroutine crystallite_results
|
|||
real(pReal), allocatable, dimension(:,:,:) :: select_tensors
|
||||
integer :: e,i,c,j
|
||||
|
||||
allocate(select_tensors(3,3,count(material_phaseAt==instance)*homogenization_maxNgrains))
|
||||
allocate(select_tensors(3,3,count(material_phaseAt==instance)*homogenization_maxNgrains*discretization_nIP))
|
||||
|
||||
j=0
|
||||
do e = 1, size(material_phaseAt,2)
|
||||
do i = 1, homogenization_maxNgrains !ToDo: this needs to be changed for varying Ngrains
|
||||
do c = 1, size(material_phaseAt,1)
|
||||
if (material_phaseAt(c,e) == instance) then
|
||||
j = j + 1
|
||||
select_tensors(1:3,1:3,j) = dataset(1:3,1:3,c,i,e)
|
||||
endif
|
||||
do i = 1, discretization_nIP
|
||||
do c = 1, size(material_phaseAt,1) !ToDo: this needs to be changed for varying Ngrains
|
||||
if (material_phaseAt(c,e) == instance) then
|
||||
j = j + 1
|
||||
select_tensors(1:3,1:3,j) = dataset(1:3,1:3,c,i,e)
|
||||
endif
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
|
|
@ -1083,12 +873,12 @@ subroutine crystallite_results
|
|||
type(rotation), allocatable, dimension(:) :: select_rotations
|
||||
integer :: e,i,c,j
|
||||
|
||||
allocate(select_rotations(count(material_phaseAt==instance)*homogenization_maxNgrains))
|
||||
allocate(select_rotations(count(material_phaseAt==instance)*homogenization_maxNgrains*discretization_nIP))
|
||||
|
||||
j=0
|
||||
do e = 1, size(material_phaseAt,2)
|
||||
do i = 1, homogenization_maxNgrains !ToDo: this needs to be changed for varying Ngrains
|
||||
do c = 1, size(material_phaseAt,1)
|
||||
do i = 1, discretization_nIP
|
||||
do c = 1, size(material_phaseAt,1) !ToDo: this needs to be changed for varying Ngrains
|
||||
if (material_phaseAt(c,e) == instance) then
|
||||
j = j + 1
|
||||
select_rotations(j) = dataset(c,i,e)
|
||||
|
|
|
|||
|
|
@ -30,7 +30,6 @@ subroutine damage_none_init
|
|||
myhomog: if (damage_type(homog) == DAMAGE_NONE_ID) then
|
||||
NofMyHomog = count(material_homogenizationAt == homog)
|
||||
damageState(homog)%sizeState = 0
|
||||
damageState(homog)%sizePostResults = 0
|
||||
allocate(damageState(homog)%state0 (0,NofMyHomog))
|
||||
allocate(damageState(homog)%subState0(0,NofMyHomog))
|
||||
allocate(damageState(homog)%state (0,NofMyHomog))
|
||||
|
|
|
|||
|
|
@ -10,7 +10,6 @@ module damage_nonlocal
|
|||
use config
|
||||
use crystallite
|
||||
use lattice
|
||||
use mesh
|
||||
use source_damage_isoBrittle
|
||||
use source_damage_isoDuctile
|
||||
use source_damage_anisoBrittle
|
||||
|
|
|
|||
|
|
@ -6,9 +6,6 @@ module discretization
|
|||
|
||||
use prec
|
||||
use results
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
use HDF5_utilities
|
||||
#endif
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
|
@ -26,18 +23,24 @@ module discretization
|
|||
discretization_NodeCoords0, &
|
||||
discretization_IPcoords, &
|
||||
discretization_NodeCoords
|
||||
|
||||
integer :: &
|
||||
discretization_sharedNodesBeginn
|
||||
|
||||
public :: &
|
||||
discretization_init, &
|
||||
discretization_results, &
|
||||
discretization_setIPcoords
|
||||
discretization_setIPcoords, &
|
||||
discretization_setNodeCoords
|
||||
|
||||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief stores the relevant information in globally accesible variables
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine discretization_init(homogenizationAt,microstructureAt,IPcoords0,NodeCoords0)
|
||||
subroutine discretization_init(homogenizationAt,microstructureAt,&
|
||||
IPcoords0,NodeCoords0,&
|
||||
sharedNodesBeginn)
|
||||
|
||||
integer, dimension(:), intent(in) :: &
|
||||
homogenizationAt, &
|
||||
|
|
@ -45,6 +48,8 @@ subroutine discretization_init(homogenizationAt,microstructureAt,IPcoords0,NodeC
|
|||
real(pReal), dimension(:,:), intent(in) :: &
|
||||
IPcoords0, &
|
||||
NodeCoords0
|
||||
integer, optional, intent(in) :: &
|
||||
sharedNodesBeginn
|
||||
|
||||
write(6,'(/,a)') ' <<<+- discretization init -+>>>'
|
||||
|
||||
|
|
@ -60,6 +65,12 @@ subroutine discretization_init(homogenizationAt,microstructureAt,IPcoords0,NodeC
|
|||
discretization_NodeCoords0 = NodeCoords0
|
||||
discretization_NodeCoords = NodeCoords0
|
||||
|
||||
if(present(sharedNodesBeginn)) then
|
||||
discretization_sharedNodesBeginn = sharedNodesBeginn
|
||||
else
|
||||
discretization_sharedNodesBeginn = size(discretization_NodeCoords0,2)
|
||||
endif
|
||||
|
||||
end subroutine discretization_init
|
||||
|
||||
|
||||
|
|
@ -70,12 +81,14 @@ subroutine discretization_results
|
|||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
real(pReal), dimension(:,:), allocatable :: u
|
||||
|
||||
call HDF5_closeGroup(results_addGroup(trim('current/geometry')))
|
||||
call results_closeGroup(results_addGroup(trim('current/geometry')))
|
||||
|
||||
u = discretization_NodeCoords - discretization_NodeCoords0
|
||||
u = discretization_NodeCoords (1:3,:discretization_sharedNodesBeginn) &
|
||||
- discretization_NodeCoords0(1:3,:discretization_sharedNodesBeginn)
|
||||
call results_writeDataset('current/geometry',u,'u_n','nodal displacements','m')
|
||||
|
||||
u = discretization_IPcoords - discretization_IPcoords0
|
||||
u = discretization_IPcoords &
|
||||
- discretization_IPcoords0
|
||||
call results_writeDataset('current/geometry',u,'u_c','cell center displacements','m')
|
||||
#endif
|
||||
end subroutine discretization_results
|
||||
|
|
@ -92,4 +105,17 @@ subroutine discretization_setIPcoords(IPcoords)
|
|||
|
||||
end subroutine discretization_setIPcoords
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief stores current IP coordinates
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine discretization_setNodeCoords(NodeCoords)
|
||||
|
||||
real(pReal), dimension(:,:), intent(in) :: NodeCoords
|
||||
|
||||
discretization_NodeCoords = NodeCoords
|
||||
|
||||
end subroutine discretization_setNodeCoords
|
||||
|
||||
|
||||
end module discretization
|
||||
|
|
|
|||
|
|
@ -122,7 +122,7 @@ subroutine geometry_plastic_nonlocal_results
|
|||
|
||||
integer, dimension(:), allocatable :: shp
|
||||
|
||||
#if defined(DAMASK_HDF5)
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
call results_openJobFile
|
||||
|
||||
writeVolume: block
|
||||
|
|
|
|||
|
|
@ -15,7 +15,7 @@ program DAMASK_spectral
|
|||
use config
|
||||
use debug
|
||||
use math
|
||||
use mesh
|
||||
use mesh_grid
|
||||
use CPFEM2
|
||||
use FEsolving
|
||||
use numerics
|
||||
|
|
@ -27,9 +27,7 @@ program DAMASK_spectral
|
|||
use grid_mech_FEM
|
||||
use grid_damage_spectral
|
||||
use grid_thermal_spectral
|
||||
use HDF5_utilities
|
||||
use results
|
||||
use rotations
|
||||
|
||||
implicit none
|
||||
|
||||
|
|
@ -60,7 +58,8 @@ program DAMASK_spectral
|
|||
remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
|
||||
logical :: &
|
||||
guess, & !< guess along former trajectory
|
||||
stagIterate
|
||||
stagIterate, &
|
||||
cutBack = .false.
|
||||
integer :: &
|
||||
i, j, k, l, field, &
|
||||
errorID = 0, &
|
||||
|
|
@ -70,23 +69,20 @@ program DAMASK_spectral
|
|||
currentLoadcase = 0, & !< current load case
|
||||
inc, & !< current increment in current load case
|
||||
totalIncsCounter = 0, & !< total # of increments
|
||||
convergedCounter = 0, & !< # of converged increments
|
||||
notConvergedCounter = 0, & !< # of non-converged increments
|
||||
fileUnit = 0, & !< file unit for reading load case and writing results
|
||||
myStat, &
|
||||
statUnit = 0, & !< file unit for statistics output
|
||||
lastRestartWritten = 0, & !< total increment # at which last restart information was written
|
||||
stagIter
|
||||
stagIter, &
|
||||
nActiveFields = 0
|
||||
character(len=6) :: loadcase_string
|
||||
character(len=1024) :: &
|
||||
incInfo
|
||||
type(rotation) :: R
|
||||
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, parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
|
||||
integer, parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
|
||||
integer, parameter :: maxRealOut = maxByteOut/pReal
|
||||
integer(pLongInt), dimension(2) :: outputIndex
|
||||
PetscErrorCode :: ierr
|
||||
|
|
@ -96,6 +92,10 @@ program DAMASK_spectral
|
|||
mech_forward
|
||||
procedure(grid_mech_spectral_basic_solution), pointer :: &
|
||||
mech_solution
|
||||
procedure(grid_mech_spectral_basic_updateCoords), pointer :: &
|
||||
mech_updateCoords
|
||||
procedure(grid_mech_spectral_basic_restartWrite), pointer :: &
|
||||
mech_restartWrite
|
||||
|
||||
external :: &
|
||||
quit
|
||||
|
|
@ -120,23 +120,29 @@ program DAMASK_spectral
|
|||
! assign mechanics solver depending on selected type
|
||||
select case (trim(config_numerics%getString('spectral_solver',defaultVal='basic')))
|
||||
case ('basic')
|
||||
mech_init => grid_mech_spectral_basic_init
|
||||
mech_forward => grid_mech_spectral_basic_forward
|
||||
mech_solution => grid_mech_spectral_basic_solution
|
||||
mech_init => grid_mech_spectral_basic_init
|
||||
mech_forward => grid_mech_spectral_basic_forward
|
||||
mech_solution => grid_mech_spectral_basic_solution
|
||||
mech_updateCoords => grid_mech_spectral_basic_updateCoords
|
||||
mech_restartWrite => grid_mech_spectral_basic_restartWrite
|
||||
|
||||
case ('polarisation')
|
||||
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
|
||||
call IO_warning(42, ext_msg='debug Divergence')
|
||||
mech_init => grid_mech_spectral_polarisation_init
|
||||
mech_forward => grid_mech_spectral_polarisation_forward
|
||||
mech_solution => grid_mech_spectral_polarisation_solution
|
||||
|
||||
mech_init => grid_mech_spectral_polarisation_init
|
||||
mech_forward => grid_mech_spectral_polarisation_forward
|
||||
mech_solution => grid_mech_spectral_polarisation_solution
|
||||
mech_updateCoords => grid_mech_spectral_polarisation_updateCoords
|
||||
mech_restartWrite => grid_mech_spectral_polarisation_restartWrite
|
||||
|
||||
case ('fem')
|
||||
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
|
||||
call IO_warning(42, ext_msg='debug Divergence')
|
||||
mech_init => grid_mech_FEM_init
|
||||
mech_forward => grid_mech_FEM_forward
|
||||
mech_solution => grid_mech_FEM_solution
|
||||
mech_init => grid_mech_FEM_init
|
||||
mech_forward => grid_mech_FEM_forward
|
||||
mech_solution => grid_mech_FEM_solution
|
||||
mech_updateCoords => grid_mech_FEM_updateCoords
|
||||
mech_restartWrite => grid_mech_FEM_restartWrite
|
||||
|
||||
case default
|
||||
call IO_error(error_ID = 891, ext_msg = config_numerics%getString('spectral_solver'))
|
||||
|
|
@ -158,11 +164,11 @@ program DAMASK_spectral
|
|||
chunkPos = IO_stringPos(line)
|
||||
do i = 1, chunkPos(1) ! reading compulsory parameters for loadcase
|
||||
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
|
||||
case('l','velocitygrad','velgrad','velocitygradient','fdot','dotf','f')
|
||||
case('l','fdot','dotf','f')
|
||||
N_def = N_def + 1
|
||||
case('t','time','delta')
|
||||
N_t = N_t + 1
|
||||
case('n','incs','increments','steps','logincs','logincrements','logsteps')
|
||||
case('n','incs','increments','logincs','logincrements')
|
||||
N_n = N_n + 1
|
||||
end select
|
||||
enddo
|
||||
|
|
@ -181,9 +187,10 @@ program DAMASK_spectral
|
|||
newLoadCase%ID(field) = FIELD_DAMAGE_ID
|
||||
endif damageActive
|
||||
|
||||
call newLoadCase%rot%fromEulers(real([0.0,0.0,0.0],pReal))
|
||||
readIn: do i = 1, chunkPos(1)
|
||||
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
|
||||
case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient','f') ! assign values for the deformation BC matrix
|
||||
case('fdot','dotf','l','f') ! assign values for the deformation BC matrix
|
||||
temp_valueVector = 0.0_pReal
|
||||
if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'fdot'.or. & ! in case of Fdot, set type to fdot
|
||||
IO_lc(IO_stringValue(line,chunkPos,i)) == 'dotf') then
|
||||
|
|
@ -200,7 +207,7 @@ program DAMASK_spectral
|
|||
newLoadCase%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) ! logical mask in 3x3 notation
|
||||
newLoadCase%deformation%maskFloat = merge(ones,zeros,newLoadCase%deformation%maskLogical)! float (1.0/0.0) mask in 3x3 notation
|
||||
newLoadCase%deformation%values = math_9to33(temp_valueVector) ! values in 3x3 notation
|
||||
case('p','pk1','piolakirchhoff','stress', 's')
|
||||
case('p','stress', 's')
|
||||
temp_valueVector = 0.0_pReal
|
||||
do j = 1, 9
|
||||
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk
|
||||
|
|
@ -211,9 +218,9 @@ program DAMASK_spectral
|
|||
newLoadCase%stress%values = math_9to33(temp_valueVector)
|
||||
case('t','time','delta') ! increment time
|
||||
newLoadCase%time = IO_floatValue(line,chunkPos,i+1)
|
||||
case('n','incs','increments','steps') ! number of increments
|
||||
case('n','incs','increments') ! number of increments
|
||||
newLoadCase%incs = IO_intValue(line,chunkPos,i+1)
|
||||
case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling)
|
||||
case('logincs','logincrements') ! number of increments (switch to log time scaling)
|
||||
newLoadCase%incs = IO_intValue(line,chunkPos,i+1)
|
||||
newLoadCase%logscale = 1
|
||||
case('freq','frequency','outputfreq') ! frequency of result writings
|
||||
|
|
@ -236,14 +243,13 @@ program DAMASK_spectral
|
|||
do j = 1, 3
|
||||
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j)
|
||||
enddo
|
||||
call R%fromEulers(temp_valueVector(1:3),degrees=(l==1))
|
||||
newLoadCase%rotation = R%asMatrix()
|
||||
call newLoadCase%rot%fromEulers(temp_valueVector(1:3),degrees=(l==1))
|
||||
case('rotation','rot') ! assign values for the rotation matrix
|
||||
temp_valueVector = 0.0_pReal
|
||||
do j = 1, 9
|
||||
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
|
||||
enddo
|
||||
newLoadCase%rotation = math_9to33(temp_valueVector)
|
||||
call newLoadCase%rot%fromMatrix(math_9to33(temp_valueVector))
|
||||
end select
|
||||
enddo readIn
|
||||
|
||||
|
|
@ -287,14 +293,12 @@ program DAMASK_spectral
|
|||
endif
|
||||
enddo; write(6,'(/)',advance='no')
|
||||
enddo
|
||||
if (any(abs(matmul(newLoadCase%rotation, &
|
||||
transpose(newLoadCase%rotation))-math_I3) > &
|
||||
reshape(spread(tol_math_check,1,9),[ 3,3]))&
|
||||
.or. abs(math_det33(newLoadCase%rotation)) > &
|
||||
1.0_pReal + tol_math_check) errorID = 846 ! given rotation matrix contains strain
|
||||
if (any(dNeq(newLoadCase%rotation, math_I3))) &
|
||||
if (any(abs(matmul(newLoadCase%rot%asMatrix(), &
|
||||
transpose(newLoadCase%rot%asMatrix()))-math_I3) > &
|
||||
reshape(spread(tol_math_check,1,9),[ 3,3]))) errorID = 846 ! given rotation matrix contains strain
|
||||
if (any(dNeq(newLoadCase%rot%asMatrix(), math_I3))) &
|
||||
write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
|
||||
transpose(newLoadCase%rotation)
|
||||
transpose(newLoadCase%rot%asMatrix())
|
||||
if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment
|
||||
write(6,'(2x,a,f12.6)') 'time: ', newLoadCase%time
|
||||
if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count
|
||||
|
|
@ -310,15 +314,9 @@ program DAMASK_spectral
|
|||
enddo
|
||||
close(fileUnit)
|
||||
|
||||
call results_openJobFile
|
||||
call HDF5_closeGroup(results_addGroup('geometry'))
|
||||
call results_addAttribute('grid',grid,'geometry')
|
||||
call results_addAttribute('size',geomSize,'geometry')
|
||||
call results_closeJobFile
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! doing initialization depending on active solvers
|
||||
call Utilities_init()
|
||||
call Utilities_init
|
||||
do field = 1, nActiveFields
|
||||
select case (loadCases(1)%ID(field))
|
||||
case(FIELD_MECH_ID)
|
||||
|
|
@ -464,15 +462,16 @@ program DAMASK_spectral
|
|||
select case(loadCases(currentLoadCase)%ID(field))
|
||||
case(FIELD_MECH_ID)
|
||||
call mech_forward (&
|
||||
guess,timeinc,timeIncOld,remainingLoadCaseTime, &
|
||||
cutBack,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
|
||||
deformation_BC = loadCases(currentLoadCase)%deformation, &
|
||||
stress_BC = loadCases(currentLoadCase)%stress, &
|
||||
rotation_BC = loadCases(currentLoadCase)%rotation)
|
||||
rotation_BC = loadCases(currentLoadCase)%rot)
|
||||
|
||||
case(FIELD_THERMAL_ID); call grid_thermal_spectral_forward
|
||||
case(FIELD_DAMAGE_ID); call grid_damage_spectral_forward
|
||||
case(FIELD_THERMAL_ID); call grid_thermal_spectral_forward(cutBack)
|
||||
case(FIELD_DAMAGE_ID); call grid_damage_spectral_forward(cutBack)
|
||||
end select
|
||||
enddo
|
||||
if(.not. cutBack) call CPFEM_forward
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve fields
|
||||
|
|
@ -485,7 +484,7 @@ program DAMASK_spectral
|
|||
solres(field) = mech_solution (&
|
||||
incInfo,timeinc,timeIncOld, &
|
||||
stress_BC = loadCases(currentLoadCase)%stress, &
|
||||
rotation_BC = loadCases(currentLoadCase)%rotation)
|
||||
rotation_BC = loadCases(currentLoadCase)%rot)
|
||||
|
||||
case(FIELD_THERMAL_ID)
|
||||
solres(field) = grid_thermal_spectral_solution(timeinc,timeIncOld)
|
||||
|
|
@ -507,8 +506,9 @@ program DAMASK_spectral
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! check solution for either advance or retry
|
||||
|
||||
if ( (continueCalculation .or. all(solres(:)%converged .and. solres(:)%stagConverged)) & ! don't care or did converge
|
||||
if ( (all(solres(:)%converged .and. solres(:)%stagConverged)) & ! converged
|
||||
.and. .not. solres(1)%termIll) then ! and acceptable solution found
|
||||
call mech_updateCoords
|
||||
timeIncOld = timeinc
|
||||
cutBack = .false.
|
||||
guess = .true. ! start guessing after first converged (sub)inc
|
||||
|
|
@ -528,7 +528,7 @@ program DAMASK_spectral
|
|||
call IO_warning(850)
|
||||
call MPI_File_close(fileUnit,ierr)
|
||||
close(statUnit)
|
||||
call quit(-1*(lastRestartWritten+1)) ! quit and provide information about last restart inc written
|
||||
call quit(0) ! quit
|
||||
endif
|
||||
|
||||
enddo subStepLooping
|
||||
|
|
@ -536,11 +536,9 @@ program DAMASK_spectral
|
|||
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
|
||||
|
||||
if (all(solres(:)%converged)) then
|
||||
convergedCounter = convergedCounter + 1
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report converged inc
|
||||
' increment ', totalIncsCounter, ' converged'
|
||||
else
|
||||
notConvergedCounter = notConvergedCounter + 1
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
|
||||
' increment ', totalIncsCounter, ' NOT converged'
|
||||
endif; flush(6)
|
||||
|
|
@ -563,11 +561,10 @@ program DAMASK_spectral
|
|||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||
call CPFEM_results(totalIncsCounter,time)
|
||||
endif
|
||||
if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then ! at frequency of writing restart information
|
||||
restartWrite = .true. ! set restart parameter for FEsolving
|
||||
lastRestartWritten = inc ! QUESTION: first call to CPFEM_general will write?
|
||||
if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then
|
||||
call mech_restartWrite
|
||||
call CPFEM_restartWrite
|
||||
endif
|
||||
|
||||
endif skipping
|
||||
|
||||
enddo incLooping
|
||||
|
|
@ -578,16 +575,9 @@ program DAMASK_spectral
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! report summary of whole calculation
|
||||
write(6,'(/,a)') ' ###########################################################################'
|
||||
write(6,'(1x,'//IO_intOut(convergedCounter)//',a,'//IO_intOut(notConvergedCounter + convergedCounter)//',a,f5.1,a)') &
|
||||
convergedCounter, ' out of ', &
|
||||
notConvergedCounter + convergedCounter, ' (', &
|
||||
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) call quit(2) ! error if some are not converged
|
||||
call quit(0) ! no complains ;)
|
||||
|
||||
end program DAMASK_spectral
|
||||
|
|
|
|||
|
|
@ -12,7 +12,7 @@ module grid_damage_spectral
|
|||
|
||||
use prec
|
||||
use spectral_utilities
|
||||
use mesh
|
||||
use mesh_grid
|
||||
use damage_nonlocal
|
||||
use numerics
|
||||
use damage_nonlocal
|
||||
|
|
@ -203,8 +203,9 @@ end function grid_damage_spectral_solution
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief spectral damage forwarding routine
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_damage_spectral_forward
|
||||
subroutine grid_damage_spectral_forward(cutBack)
|
||||
|
||||
logical, intent(in) :: cutBack
|
||||
integer :: i, j, k, cell
|
||||
DM :: dm_local
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
|
|
|
|||
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue