109 lines
5.1 KiB
Python
Executable File
109 lines
5.1 KiB
Python
Executable File
#!/usr/bin/env python
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# -*- coding: UTF-8 no BOM -*-
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import os,sys,string
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import numpy as np
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from collections import defaultdict
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from optparse import OptionParser
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import damask
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scriptID = string.replace('$Id$','\n','\\n')
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scriptName = os.path.splitext(scriptID.split()[1])[0]
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def normalize(vec):
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return vec/np.sqrt(np.inner(vec,vec))
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def E_hkl(stiffness,vec): # stiffness = (c11,c12,c44)
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v = normalize(vec)
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S11 = (stiffness[0]+stiffness[1])/(stiffness[0]*stiffness[0]+stiffness[0]*stiffness[1]-2.0*stiffness[1]*stiffness[1])
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S12 = ( -stiffness[1])/(stiffness[0]*stiffness[0]+stiffness[0]*stiffness[1]-2.0*stiffness[1]*stiffness[1])
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S44 = 1.0/stiffness[2]
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invE = S11-(S11-S12-0.5*S44)* (1.0 - \
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(v[0]**4+v[1]**4+v[2]**4) \
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/#------------------------------------
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np.inner(v,v)**2 \
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)
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return 1.0/invE
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# --------------------------------------------------------------------
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# MAIN
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# --------------------------------------------------------------------
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
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Add column(s) containing directional stiffness based on given cubic stiffness values C11, C12, and C44 in consecutive columns.
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""", version = scriptID)
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parser.add_option('-c','--stiffness', dest='vector', action='extend', metavar='<string LIST>',
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help='heading of column containing C11 (followed by C12, C44) field values')
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parser.add_option('-d','--direction','--hkl', dest='hkl', type='int', nargs=3, metavar='int int int',
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help='direction of elastic modulus [%default]')
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parser.set_defaults(hkl = (1,1,1))
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(options,filenames) = parser.parse_args()
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if options.vector == None:
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parser.error('no data column specified...')
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datainfo = { # list of requested labels per datatype
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'vector': {'len':3,
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'label':[]},
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}
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datainfo['vector']['label'] += options.vector
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# ------------------------------------------ setup file handles ------------------------------------
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files = []
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if filenames == []:
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files.append({'name':'STDIN', 'input':sys.stdin, 'output':sys.stdout, 'croak':sys.stderr})
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else:
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for name in filenames:
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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 ---------------------------------
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for file in files:
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if file['name'] != 'STDIN': file['croak'].write('\033[1m'+scriptName+'\033[0m: '+file['name']+'\n')
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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
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table.head_read() # read ASCII header info
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table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
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active = []
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column = defaultdict(dict)
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for label in datainfo['vector']['label']:
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key = '1_%s'%label
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if key not in table.labels:
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file['croak'].write('column %s not found...\n'%key)
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else:
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active.append(label)
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column[label] = table.labels.index(key) # remember columns of requested data
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# ------------------------------------------ assemble header ---------------------------------------
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for label in active:
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table.labels_append('E%i%i%i(%s)'%(options.hkl[0],
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options.hkl[1],
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options.hkl[2],label)) # extend ASCII header with new labels
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table.head_write()
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# ------------------------------------------ process data ------------------------------------------
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outputAlive = True
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while outputAlive and table.data_read(): # read next data line of ASCII table
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for label in active:
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table.data_append(E_hkl(map(float,table.data[column[label]:\
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column[label]+datainfo['vector']['len']]),options.hkl))
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outputAlive = table.data_write() # output processed line
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# ------------------------------------------ output result -----------------------------------------
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outputAlive and table.output_flush() # just in case of buffered ASCII table
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table.input_close() # close input ASCII table (works for stdin)
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table.output_close() # close output ASCII table (works for stdout)
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if file['name'] != 'STDIN':
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os.rename(file['name']+'_tmp',file['name']) # overwrite old one with tmp new
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