DAMASK_EICMD/processing/post/addCompatibilityMismatch.py

141 lines
5.9 KiB
Python
Executable File

#!/usr/bin/env python
# -*- coding: UTF-8 no BOM -*-
import os,sys
import 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 column(s) containing the shape and volume mismatch resulting from given deformation gradient.
Operates on periodic three-dimensional x,y,z-ordered data sets.
""", version = scriptID)
parser.add_option('-c','--coordinates',
dest = 'coords',
type = 'string', metavar = 'string',
help = 'column heading of coordinates [%default]')
parser.add_option('-f','--defgrad',
dest = 'defgrad',
type = 'string', metavar = 'string ',
help = 'column heading of deformation gradient [%default]')
parser.add_option('--no-shape','-s',
dest = 'shape',
action = 'store_false',
help = 'omit shape mismatch')
parser.add_option('--no-volume','-v',
dest = 'volume',
action = 'store_false',
help = 'omit volume mismatch')
parser.set_defaults(coords = 'pos',
defgrad = 'f',
shape = True,
volume = True,
)
(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)
# ------------------------------------------ read header ------------------------------------------
table.head_read()
# ------------------------------------------ sanity checks ----------------------------------------
errors = []
remarks = []
if table.label_dimension(options.coords) != 3: errors.append('coordinates {} are not a vector.'.format(options.coords))
else: colCoord = table.label_index(options.coords)
if table.label_dimension(options.defgrad) != 9: errors.append('deformation gradient {} is not a tensor.'.format(options.defgrad))
else: colF = table.label_index(options.defgrad)
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:]))
if options.shape: table.labels_append('shapeMismatch({})'.format(options.defgrad))
if options.volume: table.labels_append('volMismatch({})'.format(options.defgrad))
# --------------- figure out size and grid ---------------------------------------------------------
table.data_readArray()
coords = [np.unique(table.data[:,colCoord+i]) for i in xrange(3)]
mincorner = np.array(map(min,coords))
maxcorner = np.array(map(max,coords))
grid = np.array(map(len,coords),'i')
size = grid/np.maximum(np.ones(3,'d'), grid-1.0) * (maxcorner-mincorner) # size from edge to edge = dim * n/(n-1)
size = np.where(grid > 1, size, min(size[grid > 1]/grid[grid > 1])) # spacing for grid==1 set to smallest among other spacings
N = grid.prod()
# --------------- figure out columns to process ---------------------------------------------------
key = '1_%s'%options.defgrad
if key not in table.labels:
file['croak'].write('column %s not found...\n'%key)
continue
else:
column = table.labels.index(key) # remember columns of requested data
# ------------------------------------------ assemble header ---------------------------------------
if options.shape: table.labels_append(['shapeMismatch(%s)' %options.defgrad])
if options.volume: table.labels_append(['volMismatch(%s)'%options.defgrad])
table.head_write()
# ------------------------------------------ read deformation gradient field -----------------------
table.data_rewind()
F = np.zeros(N*9,'d').reshape([3,3]+list(grid))
idx = 0
while table.data_read():
(x,y,z) = damask.util.gridLocation(idx,grid) # figure out (x,y,z) position from line count
idx += 1
F[0:3,0:3,x,y,z] = np.array(map(float,table.data[column:column+9]),'d').reshape(3,3)
Favg = damask.core.math.tensorAvg(F)
centres = damask.core.mesh.deformedCoordsFFT(size,F,Favg,[1.0,1.0,1.0])
nodes = damask.core.mesh.nodesAroundCentres(size,Favg,centres)
if options.shape: shapeMismatch = damask.core.mesh.shapeMismatch( size,F,nodes,centres)
if options.volume: volumeMismatch = damask.core.mesh.volumeMismatch(size,F,nodes)
# ------------------------------------------ process data ------------------------------------------
table.data_rewind()
idx = 0
outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table
(x,y,z) = damask.util.gridLocation(idx,grid) # figure out (x,y,z) position from line count
idx += 1
if options.shape: table.data_append( shapeMismatch[x,y,z])
if options.volume: table.data_append(volumeMismatch[x,y,z])
outputAlive = table.data_write()
# ------------------------------------------ output finalization -----------------------------------
table.close() # close ASCII tables