DAMASK_EICMD/processing/post/addEhkl.py

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#!/usr/bin/env python
# -*- coding: UTF-8 no BOM -*-
import os,sys,string
import numpy as np
from collections import defaultdict
from optparse import OptionParser
import damask
scriptID = string.replace('$Id$','\n','\\n')
scriptName = scriptID.split()[1][:-3]
def normalize(vec):
return vec/np.sqrt(np.inner(vec,vec))
def E_hkl(stiffness,vec): # stiffness = (c11,c12,c44)
v = normalize(vec)
S11 = (stiffness[0]+stiffness[1])/(stiffness[0]*stiffness[0]+stiffness[0]*stiffness[1]-2.0*stiffness[1]*stiffness[1])
S12 = ( -stiffness[1])/(stiffness[0]*stiffness[0]+stiffness[0]*stiffness[1]-2.0*stiffness[1]*stiffness[1])
S44 = 1.0/stiffness[2]
invE = S11-(S11-S12-0.5*S44)* (1.0 - \
(v[0]**4+v[1]**4+v[2]**4) \
/#------------------------------------
np.inner(v,v)**2 \
)
return 1.0/invE
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
Add column(s) containing directional stiffness based on given cubic stiffness values C11, C12, and C44 in consecutive columns.
""", version = scriptID)
parser.add_option('-c','--stiffness', dest='vector', action='extend', metavar='<string LIST>',
help='heading of column containing C11 (followed by C12, C44) field values')
parser.add_option('-d','--direction', \
'--hkl', dest='hkl', type='int', nargs=3, metavar='int int int',
help='direction of elastic modulus %default')
parser.set_defaults(vector = [])
parser.set_defaults(hkl = (1,1,1))
(options,filenames) = parser.parse_args()
if len(options.vector)== 0:
parser.error('no data column specified...')
datainfo = { # list of requested labels per datatype
'vector': {'len':3,
'label':[]},
}
datainfo['vector']['label'] += options.vector
# ------------------------------------------ setup file handles ------------------------------------
files = []
if filenames == []:
files.append({'name':'STDIN', 'input':sys.stdin, 'output':sys.stdout, 'croak':sys.stderr})
else:
for name in filenames:
if os.path.exists(name):
files.append({'name':name, 'input':open(name), 'output':open(name+'_tmp','w'), 'croak':sys.stderr})
# ------------------------------------------ loop over input files ---------------------------------
for file in files:
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')
table = damask.ASCIItable(file['input'],file['output'],False) # make unbuffered ASCII_table
table.head_read() # read ASCII header info
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
active = []
column = defaultdict(dict)
for label in datainfo['vector']['label']:
key = '1_%s'%label
if key not in table.labels:
file['croak'].write('column %s not found...\n'%key)
else:
active.append(label)
column[label] = table.labels.index(key) # remember columns of requested data
# ------------------------------------------ assemble header ---------------------------------------
for label in active:
table.labels_append('E%i%i%i(%s)'%(options.hkl[0],
options.hkl[1],
options.hkl[2],label)) # 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 label in active:
table.data_append(E_hkl(map(float,table.data[column[label]:\
column[label]+datainfo['vector']['len']]),options.hkl))
outputAlive = table.data_write() # output processed line
# ------------------------------------------ output result -----------------------------------------
outputAlive and table.output_flush() # just in case of buffered ASCII table
table.input_close() # close input ASCII table (works for stdin)
table.output_close() # close output ASCII table (works for stdout)
if file['name'] != 'STDIN':
os.rename(file['name']+'_tmp',file['name']) # overwrite old one with tmp new