DAMASK_EICMD/processing/post/addPK2.py

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#!/usr/bin/env python
# -*- coding: UTF-8 no BOM -*-
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import os,re,sys,math,string
import numpy as np
from collections import defaultdict
from optparse import OptionParser
import damask
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scriptID = '$Id$'
scriptName = scriptID.split()[1]
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
Add column(s) containing Second Piola--Kirchhoff stress based on given column(s) of
deformation gradient and first Piola--Kirchhoff stress.
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""", version = string.replace(scriptID,'\n','\\n')
)
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parser.add_option('-f','--defgrad', dest='defgrad', action='store', type='string', metavar='string',
help='heading of columns containing deformation gradient [%default]')
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parser.add_option('-p','--stress', dest='stress', action='store', type='string', metavar='string',
help='heading of columns containing first Piola--Kirchhoff stress [%default]')
parser.set_defaults(defgrad = 'f')
parser.set_defaults(stress = 'p')
(options,filenames) = parser.parse_args()
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datainfo = { # list of requested labels per datatype
'defgrad': {'len':9,
'label':[]},
'stress': {'len':9,
'label':[]},
}
datainfo['defgrad']['label'].append(options.defgrad)
datainfo['stress']['label'].append(options.stress)
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# ------------------------------------------ setup file handles ---------------------------------------
files = []
if filenames == []:
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files.append({'name':'STDIN', 'input':sys.stdin, 'output':sys.stdout, 'croak':sys.stderr})
else:
for name in filenames:
if os.path.exists(name):
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files.append({'name':name, 'input':open(name), 'output':open(name+'_tmp','w'), 'croak':sys.stderr})
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# ------------------------------------------ loop over input files ---------------------------------------
for file in files:
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if file['name'] != 'STDIN': file['croak'].write('\033[1m'+scriptName+'\033[0m: '+file['name']+'\n')
else: file['croak'].write('\033[1m'+scriptName+'\033[0m\n')
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table = damask.ASCIItable(file['input'],file['output'],False) # make unbuffered ASCII_table
table.head_read() # read ASCII header info
table.info_append(string.replace(scriptID,'\n','\\n') + '\t' + ' '.join(sys.argv[1:]))
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active = defaultdict(list)
column = defaultdict(dict)
missingColumns = False
for datatype,info in datainfo.items():
for label in info['label']:
key = {True :'1_%s',
False:'%s' }[info['len']>1]%label
if key not in table.labels:
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file['croak'].write('column %s not found...\n'%key)
missingColumns = True # break if label not found
else:
active[datatype].append(label)
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column[datatype][label] = table.labels.index(key) # remember columns of requested data
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if missingColumns:
continue
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# ------------------------------------------ assemble header ------------------------------------
table.labels_append(['%i_S'%(i+1) for i in xrange(datainfo['stress']['len'])]) # extend ASCII header with new labels
table.head_write()
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# ------------------------------------------ process data ----------------------------------------
outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table
F = np.array(map(float,table.data[column['defgrad'][active['defgrad'][0]]:
column['defgrad'][active['defgrad'][0]]+
datainfo['defgrad']['len']]),'d').reshape(3,3)
P = np.array(map(float,table.data[column['stress'][active['stress'][0]]:
column['stress'][active['stress'][0]]+
datainfo['stress']['len']]),'d').reshape(3,3)
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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 result ---------------------------------------
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outputAlive and table.output_flush() # just in case of buffered ASCII table
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file['input'].close() # close input ASCII table (works for stdin)
file['output'].close() # close output ASCII table (works for stdout)
if file['name'] != 'STDIN':
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os.rename(file['name']+'_tmp',file['name']) # overwrite old one with tmp new