DAMASK_EICMD/processing/post/addCompatibilityMismatch.py

124 lines
5.2 KiB
Python
Executable File

#!/usr/bin/env python
# -*- coding: UTF-8 no BOM -*-
import os,sys,string
import numpy as np
from optparse import OptionParser
import damask
scriptID = string.replace('$Id$','\n','\\n')
scriptName = os.path.splitext(scriptID.split()[1])[0]
# --------------------------------------------------------------------
# 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 = 'ipinitialcoord',
defgrad = 'f',
shape = True,
volume = True,
)
(options,filenames) = parser.parse_args()
# --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = ['STDIN']
for name in filenames:
if not (name == 'STDIN' or os.path.exists(name)): continue
table = damask.ASCIItable(name = name, outname = name+'_tmp',
buffered = False)
table.croak('\033[1m'+scriptName+'\033[0m'+(': '+name if name != 'STDIN' else ''))
# ------------------------------------------ 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 != []: table.croak(remarks)
if errors != []:
table.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))
table.head_write()
# --------------- figure out size and grid ---------------------------------------------------------
table.data_readArray()
coords = [{},{},{}]
for i in xrange(len(table.data)):
for j in xrange(3):
coords[j][str(table.data[i,colCoord+j])] = True
grid = np.array(map(len,coords),'i')
size = grid/np.maximum(np.ones(3,'d'),grid-1.0)* \
np.array([max(map(float,coords[0].keys()))-min(map(float,coords[0].keys())),\
max(map(float,coords[1].keys()))-min(map(float,coords[1].keys())),\
max(map(float,coords[2].keys()))-min(map(float,coords[2].keys())),\
],'d') # size from bounding box, corrected for cell-centeredness
size = np.where(grid > 1, size, min(size[grid > 1]/grid[grid > 1])) # spacing for grid==1 equal to smallest among other spacings
N = grid.prod()
# ------------------------------------------ process deformation gradient --------------------------
F = table.data[:,colF:colF+9].transpose().reshape([3,3]+list(options.dimension),order='F')
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)
stack = [table.data]
if options.shape: stack.append(damask.core.mesh.shapeMismatch( size,F,nodes,centres))
if options.volume: stack.append(damask.core.mesh.volumeMismatch(size,F,nodes))
# ------------------------------------------ output result -----------------------------------------
if len(stack) > 1: table.data = np.hstack(tuple(stack))
table.data_writeArray('%.12g')
# ------------------------------------------ output finalization -----------------------------------
table.close() # close ASCII tables
if name != 'STDIN': os.rename(name+'_tmp',name) # overwrite old one with tmp new