#!/usr/bin/env python2.7 # -*- coding: UTF-8 no BOM -*- import os,sys import numpy as np from optparse import OptionParser import damask scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptID = ' '.join([scriptName,damask.version]) 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 = 'stiffness', action = 'extend', metavar = '', 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(hkl = (1,1,1), ) (options,filenames) = parser.parse_args() if options.stiffness is None: parser.error('no data column specified...') # --- loop over input files ------------------------------------------------------------------------- if filenames == []: filenames = [None] for name in filenames: try: table = damask.ASCIItable(name = name, buffered = False) except: continue damask.util.report(scriptName,name) # ------------------------------------------ read header ------------------------------------------ table.head_read() # ------------------------------------------ sanity checks ---------------------------------------- remarks = [] columns = [] for i,column in enumerate(table.label_index(options.stiffness)): if column < 0: remarks.append('column {} not found.'.format(options.stiffness[i])) else: columns.append(column) table.labels_append(['E{}{}{}({arg2})'.format(*options.hkl,arg2=options.stiffness[i])]) # extend ASCII header with new labels if remarks != []: damask.util.croak(remarks) # ------------------------------------------ assemble header -------------------------------------- table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:])) table.head_write() # ------------------------------------------ process data ------------------------------------------ outputAlive = True while outputAlive and table.data_read(): # read next data line of ASCII table for column in columns: table.data_append(E_hkl(map(float,table.data[column:column+3]),options.hkl)) outputAlive = table.data_write() # output processed line # ------------------------------------------ output finalization ----------------------------------- table.close() # close ASCII tables