DAMASK_EICMD/processing/post/addEhkl.py

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#!/usr/bin/env python
# -*- coding: UTF-8 no BOM -*-
import os,re,sys,math,numpy,string,damask
from optparse import OptionParser, Option
# -----------------------------
class extendableOption(Option):
# -----------------------------
# used for definition of new option parser action 'extend', which enables to take multiple option arguments
# taken from online tutorial http://docs.python.org/library/optparse.html
ACTIONS = Option.ACTIONS + ("extend",)
STORE_ACTIONS = Option.STORE_ACTIONS + ("extend",)
TYPED_ACTIONS = Option.TYPED_ACTIONS + ("extend",)
ALWAYS_TYPED_ACTIONS = Option.ALWAYS_TYPED_ACTIONS + ("extend",)
def take_action(self, action, dest, opt, value, values, parser):
if action == "extend":
lvalue = value.split(",")
values.ensure_value(dest, []).extend(lvalue)
else:
Option.take_action(self, action, dest, opt, value, values, parser)
def normalize(vec):
return vec/numpy.sqrt(numpy.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) \
/#------------------------------------
numpy.inner(v,v)**2 \
)
return 1.0/invE
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=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.
""" + string.replace('$Id$','\n','\\n')
)
parser.add_option('-c','--stiffness', dest='vector', action='extend', type='string', \
help='heading of column containing C11 (followed by C12, C44) field values', \
metavar='<label>')
parser.add_option('-d','--direction', \
'--hkl', dest='hkl', action='store', type='int', nargs=3, \
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':[]},
}
if options.vector != None: 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(file['name']+'\n')
table = damask.ASCIItable(file['input'],file['output'],False) # make unbuffered ASCII_table
table.head_read() # read ASCII header info
table.info_append(string.replace('$Id$','\n','\\n') + \
'\t' + ' '.join(sys.argv[1:]))
# --------------- figure out columns to process
active = {}
column = {}
head = []
for datatype,info in datainfo.items():
for label in info['label']:
foundIt = False
for key in ['1_'+label,label]:
if key in table.labels:
foundIt = True
if datatype not in active: active[datatype] = []
if datatype not in column: column[datatype] = {}
active[datatype].append(label)
column[datatype][label] = table.labels.index(key) # remember columns of requested data
table.labels_append('E%i%i%i(%s)'%(options.hkl[0],
options.hkl[1],
options.hkl[2],label)) # extend ASCII header with new labels
if not foundIt:
file['croak'].write('column %s not found...\n'%label)
# ------------------------------------------ assemble header ---------------------------------------
table.head_write()
# ------------------------------------------ process data ---------------------------------------
while table.data_read(): # read next data line of ASCII table
for datatype,labels in active.items(): # loop over vector,tensor
for label in labels: # loop over all requested stiffnesses
table.data_append(E_hkl(map(float,table.data[column[datatype][label]:\
column[datatype][label]+datainfo[datatype]['len']]),options.hkl))
table.data_write() # output processed line
# ------------------------------------------ output result ---------------------------------------
table.output_flush() # just in case of buffered ASCII table
if file['name'] != 'STDIN':
file['input'].close() # close input ASCII table
file['output'].close() # close output ASCII table
os.rename(file['name']+'_tmp',file['name']) # overwrite old one with tmp new