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Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development

This commit is contained in:
Martin Diehl 2016-03-23 19:51:54 +01:00
parent a5620359e5 809f03bef5
commit 95c4fdf9fa
9 changed files with 253 additions and 447 deletions
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6
DAMASK_env.sh
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@ -53,8 +53,10 @@ if [ ! -z "$PS1" ]; then
[[ "x$SOLVER" != "x" ]] && echo "Spectral Solver $SOLVER" [[ "x$SOLVER" != "x" ]] && echo "Spectral Solver $SOLVER"
[[ "x$PROCESSING" != "x" ]] && echo "Post Processing $PROCESSING" [[ "x$PROCESSING" != "x" ]] && echo "Post Processing $PROCESSING"
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
[[ "x$PETSC_DIR" != "x" ]] && echo "PETSc location $PETSC_DIR" && \ if [ "x$PETSC_DIR" != "x" ]; then
[[ `readlink -f $PETSC_DIR` == $PETSC_DIR ]] || echo " ~~> "`readlink -f $PETSC_DIR` echo "PETSc location $PETSC_DIR"
[[ `readlink -f $PETSC_DIR` == $PETSC_DIR ]] || echo " ~~> "`readlink -f $PETSC_DIR`
fi
[[ "x$PETSC_ARCH" != "x" ]] && echo "PETSc architecture $PETSC_ARCH" [[ "x$PETSC_ARCH" != "x" ]] && echo "PETSc architecture $PETSC_ARCH"
echo "MSC.Marc/Mentat $MSC_ROOT" echo "MSC.Marc/Mentat $MSC_ROOT"
echo echo

6
DAMASK_env.zsh
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@ -51,8 +51,10 @@ if [ ! -z "$PS1" ]; then
[[ "x$SOLVER" != "x" ]] && echo "Spectral Solver $SOLVER" [[ "x$SOLVER" != "x" ]] && echo "Spectral Solver $SOLVER"
[[ "x$PROCESSING" != "x" ]] && echo "Post Processing $PROCESSING" [[ "x$PROCESSING" != "x" ]] && echo "Post Processing $PROCESSING"
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
[[ "x$PETSC_DIR" != "x" ]] && echo "PETSc location $PETSC_DIR" && \ if [ "x$PETSC_DIR" != "x" ]; then
[[ `readlink -f $PETSC_DIR` == $PETSC_DIR ]] || echo " ~~> "`readlink -f $PETSC_DIR` echo "PETSc location $PETSC_DIR"
[[ `readlink -f $PETSC_DIR` == $PETSC_DIR ]] || echo " ~~> "`readlink -f $PETSC_DIR`
fi
[[ "x$PETSC_ARCH" != "x" ]] && echo "PETSc architecture $PETSC_ARCH" [[ "x$PETSC_ARCH" != "x" ]] && echo "PETSc architecture $PETSC_ARCH"
echo "MSC.Marc/Mentat $MSC_ROOT" echo "MSC.Marc/Mentat $MSC_ROOT"
echo echo

2
code/.gitignore vendored
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@ -1 +1,3 @@
DAMASK_marc*.f90 DAMASK_marc*.f90
quit__genmod.f90
*.marc

14
code/DAMASK_spectral.f90
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@ -59,8 +59,6 @@ program DAMASK_spectral
materialpoint_sizeResults, & materialpoint_sizeResults, &
materialpoint_results, & materialpoint_results, &
materialpoint_postResults materialpoint_postResults
use material, only: & use material, only: &
thermal_type, & thermal_type, &
damage_type, & damage_type, &
@ -439,14 +437,14 @@ program DAMASK_spectral
if (.not. appendToOutFile) then ! if not restarting, write 0th increment if (.not. appendToOutFile) then ! if not restarting, write 0th increment
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
outputIndex=[(i-1)*((maxByteOut/pReal)/materialpoint_sizeResults)+1, & outputIndex=int([(i-1_pInt)*((maxByteOut/pReal)/materialpoint_sizeResults)+1_pInt, &
min(i*((maxByteOut/pReal)/materialpoint_sizeResults),size(materialpoint_results,3))] min(i*((maxByteOut/pReal)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),& call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
[(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults]), & [(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults]), &
(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults,& (outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults,&
MPI_DOUBLE, MPI_STATUS_IGNORE, ierr) MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
enddo enddo
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
if (worldrank == 0) & if (worldrank == 0) &
write(6,'(1/,a)') ' ... writing initial configuration to file ........................' write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
endif endif
@ -646,14 +644,14 @@ program DAMASK_spectral
call materialpoint_postResults() call materialpoint_postResults()
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr) call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
outputIndex=[(i-1)*maxByteOut/pReal/materialpoint_sizeResults+1, & outputIndex=int([(i-1_pInt)*((maxByteOut/pReal)/materialpoint_sizeResults)+1_pInt, &
min(i*maxByteOut/pReal/materialpoint_sizeResults,size(materialpoint_results,3))] min(i*((maxByteOut/pReal)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),& call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
[(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults]), & [(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults]), &
(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults,& (outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults,&
MPI_DOUBLE, MPI_STATUS_IGNORE, ierr) MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
enddo enddo
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
endif endif
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! first call to CPFEM_general will write? mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! first call to CPFEM_general will write?

10
code/plastic_isotropic.f90
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@ -50,12 +50,12 @@ module plastic_isotropic
a, & a, &
aTolFlowstress, & aTolFlowstress, &
aTolShear , & aTolShear , &
tausat_SinhFitA, & tausat_SinhFitA=0.0_pReal, &
tausat_SinhFitB, & tausat_SinhFitB=0.0_pReal, &
tausat_SinhFitC, & tausat_SinhFitC=0.0_pReal, &
tausat_SinhFitD tausat_SinhFitD=0.0_pReal
logical :: & logical :: &
dilatation dilatation = .false.
end type end type
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)

2
lib/damask/.gitignore vendored Normal file
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@ -0,0 +1,2 @@
core.so
corientation.so

100
processing/post/addQuaternions.py
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@ -1,100 +0,0 @@
#!/usr/bin/env python
# -*- coding: UTF-8 no BOM -*-
import os,sys,numpy as np
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
Add Quaternions based on Crystal Frame Coordinates.
""", version = scriptID)
parser.add_option('-f','--frame',
dest='frame', nargs=4, type='string', metavar='<string string string string>',
help='heading of columns containing b* vector components and three frame vectors in that order')
parser.add_option('-s','--symmetry',
dest='crysym', nargs=1,type='string',metavar='<string>',
help='crystal symmetry definition')
parser.set_defaults(frame = None)
(options,filenames) = parser.parse_args()
if options.frame is None:
parser.error('no data column specified...')
datainfo = {'len':4,
'label':[]
}
if options.frame is not None: datainfo['label'] += options.frame
# --- 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)
table.head_read() # read ASCII header info
# --------------- figure out columns to process ---------------------------------------------------
active = []
column = {}
for label in datainfo['label']:
key = '1_'+label if datainfo['len'] > 1 else label # non-special labels have to start with '1_'
if key in table.labels:
active.append(label)
column[label] = table.labels.index(key) # remember columns of requested data
else:
damask.util.croak('column %s not found...'%label)
# ------------------------------------------ assemble header ---------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
table.labels_append(['Q_%i'%(i+1) for i in xrange(4)]) # extend ASCII header with new labels [1 real, 3 imaginary components]
table.head_write()
# ------------------------------------------ process data ------------------------------------------
outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table
vec = np.zeros([4,3])
for i,label in enumerate(active):
vec[i,:] = np.array(table.data[column[label]:
column[label]+3])
if sys.argv[1:][6]=='hexagonal': # Ensure Input matrix is orthogonal
M=np.dot(vec[0,:],vec[2,:])
vec[1,:]=vec[1,:]/np.linalg.norm(vec[1,:])
vec[2,:]=M*(vec[0,:]/np.linalg.norm(vec[0,:]))
vec[3,:]=vec[3,:]/np.linalg.norm(vec[3,:])
else:
vec[1,:]=vec[1,:]/np.linalg.norm(vec[1,:])
vec[2,:]=vec[2,:]/np.linalg.norm(vec[2,:])
vec[3,:]=vec[3,:]/np.linalg.norm(vec[3,:])
Ori=damask.Orientation(matrix=vec[1:,:],symmetry=sys.argv[1:][6])
table.data_append(np.asarray(Ori.asQuaternion()))
outputAlive = table.data_write() # output processed line
# ------------------------------------------ output result -----------------------------------------
outputAlive and table.output_flush() # just in case of buffered ASCII table
table.close() # close ASCII tables

542
processing/post/addSchmidfactors.py
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@ -9,225 +9,95 @@ import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version]) scriptID = ' '.join([scriptName,damask.version])
slipnormal_temp = [ slipSystems = {
[0,0,0,1], 'fcc':
[0,0,0,1], np.array([
[0,0,0,1], # Slip direction Plane normal
[0,1,-1,0], [ 0, 1,-1, 1, 1, 1, ],
[-1,0,1,0], [-1, 0, 1, 1, 1, 1, ],
[1,-1,0,0], [ 1,-1, 0, 1, 1, 1, ],
[0,1,-1,1], [ 0,-1,-1, -1,-1, 1, ],
[-1,1,0,1], [ 1, 0, 1, -1,-1, 1, ],
[-1,0,1,1], [-1, 1, 0, -1,-1, 1, ],
[0,-1,1,1], [ 0,-1, 1, 1,-1,-1, ],
[1,-1,0,1], [-1, 0,-1, 1,-1,-1, ],
[1,0,-1,1], [ 1, 1, 0, 1,-1,-1, ],
[0,1,-1,1], [ 0, 1, 1, -1, 1,-1, ],
[0,1,-1,1], [ 1, 0,-1, -1, 1,-1, ],
[-1,1,0,1], [-1,-1, 0, -1, 1,-1, ],
[-1,1,0,1], ],'f'),
[-1,0,1,1], 'bcc':
[-1,0,1,1], np.array([
[0,-1,1,1], # Slip system <111>{110}
[0,-1,1,1], [ 1,-1, 1, 0, 1, 1, ],
[1,-1,0,1], [-1,-1, 1, 0, 1, 1, ],
[1,-1,0,1], [ 1, 1, 1, 0,-1, 1, ],
[1,0,-1,1], [-1, 1, 1, 0,-1, 1, ],
[1,0,-1,1], [-1, 1, 1, 1, 0, 1, ],
] [-1,-1, 1, 1, 0, 1, ],
[ 1, 1, 1, -1, 0, 1, ],
slipdirection_temp = [ [ 1,-1, 1, -1, 0, 1, ],
[2,-1,-1,0], [-1, 1, 1, 1, 1, 0, ],
[-1,2,-1,0], [-1, 1,-1, 1, 1, 0, ],
[-1,-1,2,0], [ 1, 1, 1, -1, 1, 0, ],
[2,-1,-1,0], [ 1, 1,-1, -1, 1, 0, ],
[-1,2,-1,0], # Slip system <111>{112}
[-1,-1,2,0], [-1, 1, 1, 2, 1, 1, ],
[2,-1,-1,0], [ 1, 1, 1, -2, 1, 1, ],
[1,1,-2,0], [ 1, 1,-1, 2,-1, 1, ],
[-1,2,-1,0], [ 1,-1, 1, 2, 1,-1, ],
[-2,1,1,0], [ 1,-1, 1, 1, 2, 1, ],
[-1,-1,2,0], [ 1, 1,-1, -1, 2, 1, ],
[1,-2,1,0], [ 1, 1, 1, 1,-2, 1, ],
[-1,2,-1,3], [-1, 1, 1, 1, 2,-1, ],
[1,1,-2,3], [ 1, 1,-1, 1, 1, 2, ],
[-2,1,1,3], [ 1,-1, 1, -1, 1, 2, ],
[-1,2,-1,3], [-1, 1, 1, 1,-1, 2, ],
[-1,-1,2,3], [ 1, 1, 1, 1, 1,-2, ],
[-2,1,1,3], ],'f'),
[1,-2,1,3], 'hex':
[-1,-1,2,3], np.array([
[2,-1,-1,3], # Basal systems <11.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base))
[1,-2,1,3], [ 2, -1, -1, 0, 0, 0, 0, 1, ],
[1,1,-2,3], [-1, 2, -1, 0, 0, 0, 0, 1, ],
[2,-1,-1,3], [-1, -1, 2, 0, 0, 0, 0, 1, ],
] # 1st type prismatic systems <11.0>{10.0} (independent of c/a-ratio)
[ 2, -1, -1, 0, 0, 1, -1, 0, ],
# slip normals and directions according to cpfem implementation [-1, 2, -1, 0, -1, 0, 1, 0, ],
Nslipsystems = {'fcc': 12, 'bcc': 24, 'hex': 24} [-1, -1, 2, 0, 1, -1, 0, 0, ],
slipnormal = { \ # 2nd type prismatic systems <10.0>{11.0} -- a slip; plane normals independent of c/a-ratio
'fcc': [ [ 0, 1, -1, 0, 2, -1, -1, 0, ],
[1,1,1], [-1, 0, 1, 0, -1, 2, -1, 0, ],
[1,1,1], [ 1, -1, 0, 0, -1, -1, 2, 0, ],
[1,1,1], # 1st type 1st order pyramidal systems <11.0>{-11.1} -- plane normals depend on the c/a-ratio
[-1,-1,1], [ 2, -1, -1, 0, 0, 1, -1, 1, ],
[-1,-1,1], [-1, 2, -1, 0, -1, 0, 1, 1, ],
[-1,-1,1], [-1, -1, 2, 0, 1, -1, 0, 1, ],
[1,-1,-1], [ 1, 1, -2, 0, -1, 1, 0, 1, ],
[1,-1,-1], [-2, 1, 1, 0, 0, -1, 1, 1, ],
[1,-1,-1], [ 1, -2, 1, 0, 1, 0, -1, 1, ],
[-1,1,-1], # pyramidal system: c+a slip <11.3>{-10.1} -- plane normals depend on the c/a-ratio
[-1,1,-1], [ 2, -1, -1, 3, -1, 1, 0, 1, ],
[-1,1,-1], [ 1, -2, 1, 3, -1, 1, 0, 1, ],
], [-1, -1, 2, 3, 1, 0, -1, 1, ],
'bcc': [ [-2, 1, 1, 3, 1, 0, -1, 1, ],
[0,1,1], [-1, 2, -1, 3, 0, -1, 1, 1, ],
[0,1,1], [ 1, 1, -2, 3, 0, -1, 1, 1, ],
[0,-1,1], [-2, 1, 1, 3, 1, -1, 0, 1, ],
[0,-1,1], [-1, 2, -1, 3, 1, -1, 0, 1, ],
[1,0,1], [ 1, 1, -2, 3, -1, 0, 1, 1, ],
[1,0,1], [ 2, -1, -1, 3, -1, 0, 1, 1, ],
[-1,0,1], [ 1, -2, 1, 3, 0, 1, -1, 1, ],
[-1,0,1], [-1, -1, 2, 3, 0, 1, -1, 1, ],
[1,1,0], # pyramidal system: c+a slip <11.3>{-1-1.2} -- as for hexagonal ice (Castelnau et al. 1996, similar to twin system found below)
[1,1,0], [ 2, -1, -1, 3, -2, 1, 1, 2, ], # sorted according to similar twin system
[-1,1,0], [-1, 2, -1, 3, 1, -2, 1, 2, ], # <11.3>{-1-1.2} shear = 2((c/a)^2-2)/(3 c/a)
[-1,1,0], [-1, -1, 2, 3, 1, 1, -2, 2, ],
[2,1,1], [-2, 1, 1, 3, 2, -1, -1, 2, ],
[-2,1,1], [ 1, -2, 1, 3, -1, 2, -1, 2, ],
[2,-1,1], [ 1, 1, -2, 3, -1, -1, 2, 2, ],
[2,1,-1], ],'f'),
[1,2,1], }
[-1,2,1],
[1,-2,1],
[1,2,-1],
[1,1,2],
[-1,1,2],
[1,-1,2],
[1,1,-2],
],
'hex': [ # these are dummy numbers and are recalculated based on the above hex real slip systems.
[1,1,0],
[1,1,0],
[1,0,1],
[1,0,1],
[0,1,1],
[0,1,1],
[1,-1,0],
[1,-1,0],
[-1,0,1],
[-1,0,1],
[0,-1,1],
[0,-1,1],
[2,-1,1],
[1,-2,-1],
[1,1,2],
[2,1,1],
[1,2,-1],
[1,-1,2],
[2,1,-1],
[1,2,1],
[1,-1,-2],
[2,-1,-1],
[1,-2,1],
[1,1,-2],
],
}
slipdirection = { \
'fcc': [
[0,1,-1],
[-1,0,1],
[1,-1,0],
[0,-1,-1],
[1,0,1],
[-1,1,0],
[0,-1,1],
[-1,0,-1],
[1,1,0],
[0,1,1],
[1,0,-1],
[-1,-1,0],
],
'bcc': [
[1,-1,1],
[-1,-1,1],
[1,1,1],
[-1,1,1],
[-1,1,1],
[-1,-1,1],
[1,1,1],
[1,-1,1],
[-1,1,1],
[-1,1,-1],
[1,1,1],
[1,1,-1],
[-1,1,1],
[1,1,1],
[1,1,-1],
[1,-1,1],
[1,-1,1],
[1,1,-1],
[1,1,1],
[-1,1,1],
[1,1,-1],
[1,-1,1],
[-1,1,1],
[1,1,1],
],
'hex': [ # these are dummy numbers and are recalculated based on the above hex real slip systems.
[-1,1,1],
[1,-1,1],
[-1,-1,1],
[-1,1,1],
[-1,-1,1],
[1,-1,1],
[1,1,1],
[-1,-1,1],
[1,-1,1],
[1,1,1],
[1,1,1],
[-1,1,1],
[1,1,-1],
[1,1,-1],
[1,1,-1],
[1,-1,-1],
[1,-1,-1],
[1,-1,-1],
[1,-1,1],
[1,-1,1],
[1,-1,1],
[1,1,1],
[1,1,1],
[1,1,1],
],
}
def applyEulers(phi1,Phi,phi2,x):
"""transform x given in crystal coordinates to xbar returned in lab coordinates for Euler angles phi1,Phi,phi2"""
eulerRot = [[ math.cos(phi1)*math.cos(phi2) - math.cos(Phi)*math.sin(phi1)*math.sin(phi2),
-math.cos(phi1)*math.sin(phi2) - math.cos(Phi)*math.cos(phi2)*math.sin(phi1),
math.sin(Phi)*math.sin(phi1)
],
[ math.cos(phi2)*math.sin(phi1) + math.cos(Phi)*math.cos(phi1)*math.sin(phi2),
math.cos(Phi)*math.cos(phi1)*math.cos(phi2) - math.sin(phi1)*math.sin(phi2),
-math.sin(Phi)*math.cos(phi1)
],
[ math.sin(Phi)*math.sin(phi2),
math.sin(Phi)*math.cos(phi2),
math.cos(Phi)
]]
xbar = [0,0,0]
if len(x) == 3:
for i in range(3):
xbar[i] = sum([eulerRot[i][j]*x[j] for j in range(3)])
return xbar
def normalize(x):
norm = math.sqrt(sum([x[i]*x[i] for i in range(len(x))]))
return [x[i]/norm for i in range(len(x))]
# -------------------------------------------------------------------- # --------------------------------------------------------------------
# MAIN # MAIN
@ -238,134 +108,164 @@ Add columns listing Schmid factors (and optional trace vector of selected system
""", version = scriptID) """, version = scriptID)
latticeChoices = ('fcc','bcc','hex')
parser.add_option('-l','--lattice', parser.add_option('-l','--lattice',
dest='lattice', type='choice', choices=('fcc','bcc','hex'), metavar='string', dest = 'lattice', type = 'choice', choices = latticeChoices, metavar='string',
help="type of lattice structure [%default] {fcc,bcc',hex}") help = 'type of lattice structure [%default] {}'.format(latticeChoices))
parser.add_option('--direction',
dest='forcedirection', type='int', nargs=3, metavar='int int int',
help='force direction in lab coordinates %default')
parser.add_option('-n','--normal',
dest='stressnormal', type='int', nargs=3, metavar='int int int',
help='stress plane normal in lab coordinates ')
parser.add_option('--trace',
dest='traceplane', type='int', nargs=3, metavar='int int int',
help='normal (in lab coordinates) of plane on which the plane trace of the Schmid factor(s) is reported')
parser.add_option('--covera', parser.add_option('--covera',
dest='CoverA', type='float', metavar='float', dest = 'CoverA', type = 'float', metavar = 'float',
help='C over A ratio for hexagonal systems') help = 'C over A ratio for hexagonal systems')
parser.add_option('-r','--rank', parser.add_option('-f', '--force',
dest='rank', type='int', nargs=3, metavar='int int int', dest = 'force',
help="report trace of r'th highest Schmid factor [%default]") type = 'float', nargs = 3, metavar = 'float float float',
help = 'force direction in lab frame [%default]')
parser.add_option('-n', '--normal',
dest = 'normal',
type = 'float', nargs = 3, metavar = 'float float float',
help = 'stress plane normal in lab frame [%default]')
parser.add_option('-e', '--eulers', parser.add_option('-e', '--eulers',
dest='eulers', metavar='string', dest = 'eulers',
help='Euler angles label') type = 'string', metavar = 'string',
help = 'Euler angles label')
parser.add_option('-d', '--degrees', parser.add_option('-d', '--degrees',
dest='degrees', action='store_true', dest = 'degrees',
help='Euler angles are given in degrees [%default]') action = 'store_true',
parser.set_defaults(lattice = 'fcc') help = 'Euler angles are given in degrees [%default]')
parser.set_defaults(forcedirection = [0, 0, 1]) parser.add_option('-m', '--matrix',
parser.set_defaults(stressnormal = None) dest = 'matrix',
parser.set_defaults(traceplane = None) type = 'string', metavar = 'string',
parser.set_defaults(rank = 0) help = 'orientation matrix label')
parser.set_defaults(CoverA = 1.587) parser.add_option('-a',
parser.set_defaults(eulers = 'eulerangles') dest = 'a',
type = 'string', metavar = 'string',
help = 'crystal frame a vector label')
parser.add_option('-b',
dest = 'b',
type = 'string', metavar = 'string',
help = 'crystal frame b vector label')
parser.add_option('-c',
dest = 'c',
type = 'string', metavar = 'string',
help = 'crystal frame c vector label')
parser.add_option('-q', '--quaternion',
dest = 'quaternion',
type = 'string', metavar = 'string',
help = 'quaternion label')
(options,filenames) = parser.parse_args() parser.set_defaults(force = (0.0,0.0,1.0),
normal = None,
lattice = latticeChoices[0],
CoverA = math.sqrt(8./3.),
degrees = False,
)
options.forcedirection = normalize(options.forcedirection) (options, filenames) = parser.parse_args()
if options.stressnormal:
if abs(sum([options.forcedirection[i] * options.stressnormal[i] for i in range(3)])) < 1e-3:
options.stressnormal = normalize(options.stressnormal)
else:
parser.error('stress plane normal not orthogonal to force direction')
else:
options.stressnormal = options.forcedirection
if options.traceplane:
options.traceplane = normalize(options.traceplane)
options.rank = min(options.rank,Nslipsystems[options.lattice])
datainfo = { # list of requested labels per datatype
'vector': {'len':3,
'label':[]},
}
datainfo['vector']['label'] += [options.eulers]
toRadians = math.pi/180.0 if options.degrees else 1.0 # rescale degrees to radians toRadians = math.pi/180.0 if options.degrees else 1.0 # rescale degrees to radians
# Convert 4 Miller indices notation of hex to orthogonal 3 Miller indices notation
if options.lattice=='hex':
for i in range(Nslipsystems[options.lattice]):
slipnormal[options.lattice][i][0]=slipnormal_temp[i][0]
slipnormal[options.lattice][i][1]=(slipnormal_temp[i][0]+2.0*slipnormal_temp[i][1])/math.sqrt(3.0)
slipnormal[options.lattice][i][2]=slipnormal_temp[i][3]/options.CoverA
slipdirection[options.lattice][i][0]=slipdirection_temp[i][0]*1.5 # direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)] ,
slipdirection[options.lattice][i][1]=(slipdirection_temp[i][0]+2.0*slipdirection_temp[i][1])*(0.5*math.sqrt(3.0))
slipdirection[options.lattice][i][2]=slipdirection_temp[i][3]*options.CoverA
for i in range(Nslipsystems[options.lattice]): force = np.array(options.force)
slipnormal[options.lattice][i]=normalize(slipnormal[options.lattice][i]) force /= np.linalg.norm(force)
slipdirection[options.lattice][i]=normalize(slipdirection[options.lattice][i])
# --- loop over input files ------------------------------------------------------------------------- if options.normal:
damask.util.croak('got normal')
normal = np.array(options.normal)
normal /= np.linalg.norm(normal)
if abs(np.dot(force,normal)) > 1e-3:
parser.error('stress plane normal not orthogonal to force direction')
else:
normal = force
input = [options.eulers is not None,
options.a is not None and \
options.b is not None and \
options.c is not None,
options.matrix is not None,
options.quaternion is not None,
]
if np.sum(input) != 1: parser.error('needs exactly one input format.')
(label,dim,inputtype) = [(options.eulers,3,'eulers'),
([options.a,options.b,options.c],[3,3,3],'frame'),
(options.matrix,9,'matrix'),
(options.quaternion,4,'quaternion'),
][np.where(input)[0][0]] # select input label that was requested
c_direction = np.zeros((len(slipSystems[options.lattice]),3),'f')
c_normal = np.zeros_like(c_direction)
if options.lattice in latticeChoices[:2]:
c_direction = slipSystems[options.lattice][:,:3]
c_normal = slipSystems[options.lattice][:,3:]
elif options.lattice == latticeChoices[2]:
# convert 4 Miller index notation of hex to orthogonal 3 Miller index notation
for i in xrange(len(c_direction)):
c_direction[i] = np.array([slipSystems['hex'][i,0]*1.5,
(slipSystems['hex'][i,0] + 2.*slipSystems['hex'][i,1])*0.5*np.sqrt(3),
slipSystems['hex'][i,3]*options.CoverA,
])
c_normal[i] = np.array([slipSystems['hex'][i,4],
(slipSystems['hex'][i,4] + 2.*slipSystems['hex'][i,5])/np.sqrt(3),
slipSystems['hex'][i,7]/options.CoverA,
])
c_direction /= np.tile(np.linalg.norm(c_direction,axis=1),(3,1)).T
c_normal /= np.tile(np.linalg.norm(c_normal ,axis=1),(3,1)).T
# --- loop over input files ------------------------------------------------------------------------
if filenames == []: filenames = [None] if filenames == []: filenames = [None]
for name in filenames: for name in filenames:
try: try: table = damask.ASCIItable(name = name,
table = damask.ASCIItable(name = name,buffered = False) buffered = False)
except: except: continue
continue
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
table.head_read() # read ASCII header info # ------------------------------------------ read header ------------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
key = '1_%s'%datainfo['vector']['label'][0] table.head_read()
if key not in table.labels:
file['croak'].write('column %s not found...\n'%key) # ------------------------------------------ sanity checks ----------------------------------------
if not np.all(table.label_dimension(label) == dim):
damask.util.croak('input {} does not have dimension {}.'.format(label,dim))
table.close(dismiss = True) # close ASCIItable and remove empty file
continue continue
else:
column = table.labels.index(key) # remember columns of requested data column = table.label_index(label)
# ------------------------------------------ assemble header --------------------------------------- # ------------------------------------------ assemble header ---------------------------------------
table.labels_append(['%i_S(%i_%i_%i)[%i_%i_%i]'%(i+1, table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
slipnormal[options.lattice][i][0], table.labels_append(['{id}_S[{direction[0]:.1g}_{direction[1]:.1g}_{direction[2]:.1g}]({normal[0]:.1g}_{normal[1]:.1g}_{normal[2]:.1g})'\
slipnormal[options.lattice][i][1], .format( id = i+1,
slipnormal[options.lattice][i][2], normal = theNormal,
slipdirection[options.lattice][i][0], direction = theDirection,
slipdirection[options.lattice][i][1], ) for i,(theNormal,theDirection) in enumerate(zip(c_normal,c_direction))])
slipdirection[options.lattice][i][2],
) for i in range(Nslipsystems[options.lattice])])
if options.traceplane:
if options.rank > 0:
table.labels_append('trace_x trace_y trace_z system')
else:
table.labels_append(['(%i)tx\tty\ttz'%(i+1) for i in range(Nslipsystems[options.lattice])])
table.head_write() table.head_write()
# ------------------------------------------ process data ------------------------------------------ # ------------------------------------------ process data ------------------------------------------
outputAlive = True outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table while outputAlive and table.data_read(): # read next data line of ASCII table
[phi1,Phi,phi2] = Eulers=toRadians*np.array(map(\ if inputtype == 'eulers':
float,table.data[column:column+datainfo['vector']['len']])) o = damask.Orientation(Eulers = np.array(map(float,table.data[column:column+3]))*toRadians,)
S = [ sum( [applyEulers(phi1,Phi,phi2,normalize( \ elif inputtype == 'matrix':
slipnormal[options.lattice][slipsystem]))[i]*options.stressnormal[i] for i in range(3)] ) * \ o = damask.Orientation(matrix = np.array(map(float,table.data[column:column+9])).reshape(3,3).transpose(),)
sum( [applyEulers(phi1,Phi,phi2,normalize( \ elif inputtype == 'frame':
slipdirection[options.lattice][slipsystem]))[i]*options.forcedirection[i] for i in range(3)] ) \ o = damask.Orientation(matrix = np.array(map(float,table.data[column[0]:column[0]+3] + \
for slipsystem in range(Nslipsystems[options.lattice]) ] table.data[column[1]:column[1]+3] + \
table.data_append(S) table.data[column[2]:column[2]+3])).reshape(3,3),)
if options.traceplane: elif inputtype == 'quaternion':
trace = [np.cross(options.traceplane,applyEulers(phi1,Phi,phi2,normalize(slipnormal[options.lattice][slipsystem]))) \ o = damask.Orientation(quaternion = np.array(map(float,table.data[column:column+4])),)
for slipsystem in range(Nslipsystems[options.lattice]) ]
if options.rank == 0: rotForce = o.quaternion.conjugated() * force
table.data_append('\t'.join(map(lambda x:'%f\t%f\t%f'%(x[0],x[1],x[2]),trace))) rotNormal = o.quaternion.conjugated() * normal
elif options.rank > 0: table.data_append(np.abs(np.sum(c_direction*rotForce,axis=1) * np.sum(c_normal*rotNormal,axis=1)))
SabsSorted = sorted([(abs(S[i]),i) for i in range(len(S))])
table.data_append('\t'.join(map(str,trace[SabsSorted[-options.rank][1]])) + '\t%i'%(1+SabsSorted[-options.rank][1]))
outputAlive = table.data_write() # output processed line outputAlive = table.data_write() # output processed line
# ------------------------------------------ output finalization ----------------------------------- # ------------------------------------------ output finalization -----------------------------------
table.close() # close input ASCII table (works for stdin) table.close() # close ASCII tables

18
processing/pre/seeds_fromDistribution.py
View File

@ -133,10 +133,10 @@ class myThread (threading.Thread):
break break
elif currentError[i] < target[i]['error']: # better fit elif currentError[i] < target[i]['error']: # better fit
bestSeedsUpdate = time.time() # save time of better fit bestSeedsUpdate = time.time() # save time of better fit
damask.util.croak('Thread %i: Better match (%i bins, %6.4f --> %6.4f)' damask.util.croak('Thread {:d}: Better match ({:d} bins, {:6.4f} --> {:6.4f})'\
%(self.threadID,i+1,target[i]['error'],currentError[i])) .format(self.threadID,i+1,target[i]['error'],currentError[i]))
damask.util.croak(' target: ',target[i]['histogram']) damask.util.croak(' target: '+np.array_str(target[i]['histogram']))
damask.util.croak(' best: ',currentHist[i]) damask.util.croak(' best: '+np.array_str(currentHist[i]))
currentSeedsName = baseFile+'_'+str(bestSeedsUpdate).replace('.','-') # name of new seed file (use time as unique identifier) currentSeedsName = baseFile+'_'+str(bestSeedsUpdate).replace('.','-') # name of new seed file (use time as unique identifier)
perturbedSeedsVFile.reset() perturbedSeedsVFile.reset()
bestSeedsVFile.close() bestSeedsVFile.close()
@ -149,7 +149,7 @@ class myThread (threading.Thread):
for j in xrange(nMicrostructures): # save new errors for all bins for j in xrange(nMicrostructures): # save new errors for all bins
target[j]['error'] = currentError[j] target[j]['error'] = currentError[j]
if myMatch > match: # one or more new bins have no deviation if myMatch > match: # one or more new bins have no deviation
damask.util.croak( 'Stage %i cleared'%(myMatch)) damask.util.croak( 'Stage {:d} cleared'.format(myMatch))
match=myMatch match=myMatch
sys.stdout.flush() sys.stdout.flush()
break break
@ -164,8 +164,8 @@ class myThread (threading.Thread):
target[j]['error'] = currentError[j] target[j]['error'] = currentError[j]
randReset = True randReset = True
else: #--- not all grains are tessellated else: #--- not all grains are tessellated
damask.util.croak('Thread %i: Microstructure mismatch (%i microstructures mapped)' damask.util.croak('Thread {:d}: Microstructure mismatch ({:d} microstructures mapped)'\
%(self.threadID,myNmicrostructures)) .format(self.threadID,myNmicrostructures))
randReset = True randReset = True
@ -243,7 +243,7 @@ if os.path.isfile(os.path.splitext(options.seedFile)[0]+'.seeds'):
else: else:
bestSeedsVFile.write(damask.util.execute('seeds_fromRandom'+\ bestSeedsVFile.write(damask.util.execute('seeds_fromRandom'+\
' -g '+' '.join(map(str, options.grid))+\ ' -g '+' '.join(map(str, options.grid))+\
' -r %i'%options.randomSeed+\ ' -r {:d}'.format(options.randomSeed)+\
' -N '+str(nMicrostructures))[0]) ' -N '+str(nMicrostructures))[0])
bestSeedsUpdate = time.time() bestSeedsUpdate = time.time()
@ -279,7 +279,7 @@ if options.maxseeds < 1:
else: else:
maxSeeds = options.maxseeds maxSeeds = options.maxseeds
if match >0: damask.util.croak('Stage %i cleared'%match) if match >0: damask.util.croak('Stage {:d} cleared'.format(match))
sys.stdout.flush() sys.stdout.flush()
initialGeomVFile.close() initialGeomVFile.close()