#!/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] 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', type='string', metavar='', help='heading of column containing C11 (followed by C12, C44) field values') parser.add_option('-d','--direction', \ '--hkl', dest='hkl', action='store', 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 file['input'].close() # close input ASCII table (works for stdin) file['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