#!/usr/bin/env python # -*- coding: UTF-8 no BOM -*- import os,sys,math,string,numpy 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) #-------------------------------------------------------------------------------------------------- # MAIN #-------------------------------------------------------------------------------------------------- parser = OptionParser(option_class=extendableOption, usage='%prog options [file[s]]', description = """ Generate geometry description and material configuration from input files used by R.A. Lebensohn """ + string.replace('$Id$','\n','\\n') ) parser.add_option('--column', dest='column', type='int', \ help='data column to discriminate phase 1 from 2 [%default]') parser.add_option('-t','--treshold', dest='threshold', type='float', \ help='threshold value to discriminate phase 1 from 2 [%default]') parser.add_option('--homogenization', dest='homogenization', type='int', \ help='homogenization index to be used [%default]') parser.add_option('--phase', dest='phase', type='int', nargs = 2, \ help='two phase indices to be used %default') parser.add_option('--crystallite', dest='crystallite', type='int', \ help='crystallite index to be used [%default]') parser.add_option('-c', '--configuration', dest='config', action='store_true', \ help='output material configuration [%default]') parser.set_defaults(column = 7) parser.set_defaults(threshold = 1.0) parser.set_defaults(homogenization = 1) parser.set_defaults(phase = [1,2]) parser.set_defaults(crystallite = 1) parser.set_defaults(config = False) (options,filenames) = parser.parse_args() #--- 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.stdout, }) #--- loop over input files ------------------------------------------------------------------------ for file in files: if file['name'] != 'STDIN': file['croak'].write(file['name']+'\n') info = { 'grid': numpy.zeros(3,'i'), 'size': numpy.zeros(3,'d'), 'origin': numpy.zeros(3,'d'), 'microstructures': 0, 'homogenization': options.homogenization } needInfo = [True,True,True] microstructure = ['<microstructure>'] texture = ['<texture>'] point = 0 for line in file['input']: if line.strip(): point += 1 words = line.split() currPos = map(float,words[3:6]) for i in xrange(3): if currPos[i] > info['grid'][i]: info['size'][i] = currPos[i] info['grid'][i]+=1 if options.config: # write configuration (line by line) me = str(point) microstructure += ['[Grain%s]\n'%me + \ 'crystallite\t%i\n'%options.crystallite + \ '(constituent)\tphase %s\ttexture %s\tfraction 1.0\n'%(options.phase[{True:0,False:1}[float(words[options.column-1])<options.threshold]],me) ] texture += ['[Grain%s]\n'%me + \ '(gauss)\tphi1 %s\tPhi %s\tphi2 %s\tscatter 0.0\tfraction 1.0\n'%tuple(words[:3]) ] info['microstructures'] = info['grid'][0]*info['grid'][1]*info['grid'][2] #--- report --------------------------------------------------------------------------------------- file['croak'].write('grid a b c: %s\n'%(' x '.join(map(str,info['grid']))) + \ 'size x y z: %s\n'%(' x '.join(map(str,info['size']))) + \ 'origin x y z: %s\n'%(' : '.join(map(str,info['origin']))) + \ 'homogenization: %i\n'%info['homogenization'] + \ 'microstructures: %i\n\n'%info['microstructures']) if numpy.any(info['grid'] < 1): file['croak'].write('invalid grid a b c.\n') sys.exit() if numpy.any(info['size'] <= 0.0): file['croak'].write('invalid size x y z.\n') sys.exit() #--- write data ----------------------------------------------------------------------------------- if options.config: file['output'].write('\n'.join(microstructure) + \ '\n'.join(texture)) else: header = ['$Id$\n'] header.append("grid\ta %i\tb %i\tc %i\n"%(info['grid'][0],info['grid'][1],info['grid'][2],)) header.append("size\tx %f\ty %f\tz %f\n"%(info['size'][0],info['size'][1],info['size'][2],)) header.append("origin\tx %f\ty %f\tz %f\n"%(info['origin'][0],info['origin'][1],info['origin'][2],)) header.append("microstructures\t%i\n"%info['microstructures']) header.append("homogenization\t%i\n"%info['homogenization']) file['output'].write('%i\theader\n'%(len(header))+''.join(header)) file['output'].write("1 to %i\n"%(info['microstructures'])) #--- output finalization -------------------------------------------------------------------------- if file['name'] != 'STDIN': file['output'].close() os.rename(file['name']+'_tmp',os.path.splitext(file['name'])[0] + \ {True: '_material.config', False:'.geom'}[options.config])