#!/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 = os.path.splitext(scriptID.split()[1])[0] def operator(stretch,strain,eigenvalues): return { 'V#ln': np.log(eigenvalues) , 'U#ln': np.log(eigenvalues) , 'V#Biot': ( np.ones(3,'d') - 1.0/eigenvalues ) , 'U#Biot': ( eigenvalues - np.ones(3,'d') ) , 'V#Green': ( np.ones(3,'d') - 1.0/eigenvalues*eigenvalues) *0.5, 'U#Green': ( eigenvalues*eigenvalues - np.ones(3,'d')) *0.5, }[stretch+'#'+strain] # -------------------------------------------------------------------- # MAIN # -------------------------------------------------------------------- parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """ Add column(s) containing given strains based on given stretches of requested deformation gradient column(s). """, version = scriptID) parser.add_option('-u','--right', dest='right', action='store_true', help='material strains based on right Cauchy--Green deformation, i.e., C and U [%default]') parser.add_option('-v','--left', dest='left', action='store_true', help='spatial strains based on left Cauchy--Green deformation, i.e., B and V [%default]') parser.add_option('-l','-0','--logarithmic', dest='logarithmic', action='store_true', help='calculate logarithmic strain tensor [%default]') parser.add_option('-b','-1','--biot', dest='biot', action='store_true', help='calculate biot strain tensor [%default]') parser.add_option('-g','-2','--green', dest='green', action='store_true', help='calculate green strain tensor [%default]') parser.add_option('-f','--defgrad', dest='defgrad', action='extend', metavar = '', help='heading(s) of columns containing deformation tensor values %default') parser.set_defaults(right = False) parser.set_defaults(left = False) parser.set_defaults(logarithmic = False) parser.set_defaults(biot = False) parser.set_defaults(green = False) parser.set_defaults(defgrad = ['f']) (options,filenames) = parser.parse_args() stretches = [] stretch = {} strains = [] if options.right: stretches.append('U') if options.left: stretches.append('V') if options.logarithmic: strains.append('ln') if options.biot: strains.append('Biot') if options.green: strains.append('Green') datainfo = { # list of requested labels per datatype 'defgrad': {'len':9, 'label':[]}, } datainfo['defgrad']['label'] = options.defgrad # ------------------------------------------ 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['defgrad']['label']: key = '1_%s'%label if key not in table.labels: sys.stderr.write('column %s not found...\n'%key) else: active.append(label) column[label] = table.labels.index(key) # ------------------------------------------ assemble header --------------------------------------- for label in active: for theStretch in stretches: for theStrain in strains: table.labels_append(['%i_%s(%s)%s'%(i+1,theStrain,theStretch, {True: label,False: ''}[label!='f'])for i in xrange(9)]) # 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: # loop over all requested norms F = np.array(map(float,table.data[column[label]: column[label]+datainfo['defgrad']['len']]),'d').reshape(3,3) (U,S,Vh) = np.linalg.svd(F) R = np.dot(U,Vh) stretch['U'] = np.dot(np.linalg.inv(R),F) stretch['V'] = np.dot(F,np.linalg.inv(R)) for theStretch in stretches: for i in range(9): if abs(stretch[theStretch][i%3,i//3]) < 1e-12: # kill nasty noisy data stretch[theStretch][i%3,i//3] = 0.0 (D,V) = np.linalg.eig(stretch[theStretch]) # eigen decomposition (of symmetric matrix) for i,eigval in enumerate(D): if eigval < 0.0: # flip negative eigenvalues D[i] = -D[i] V[:,i] = -V[:,i] if np.dot(V[:,i],V[:,(i+1)%3]) != 0.0: # check each vector for orthogonality V[:,(i+1)%3] = np.cross(V[:,(i+2)%3],V[:,i]) # correct next vector V[:,(i+1)%3] /= np.sqrt(np.dot(V[:,(i+1)%3],V[:,(i+1)%3].conj())) # and renormalize (hyperphobic?) for theStrain in strains: d = operator(theStretch,theStrain,D) # operate on eigenvalues of U or V eps = (np.dot(V,np.dot(np.diag(d),V.T)).real).reshape(9) # build tensor back from eigenvalue/vector basis table.data_append(list(eps)) 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