#!/usr/bin/env python 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