#!/usr/bin/env python # -*- coding: UTF-8 no BOM -*- import os,sys,math,string,numpy as np from optparse import OptionParser, OptionGroup, Option, SUPPRESS_HELP scriptID = '$Id$' scriptName = scriptID.split()[1] #-------------------------------------------------------------------------------------------------- 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 EBSD data in given square-gridded 'ang' file. Two phases can be discriminated based on threshold value in a given data column. """ + string.replace(scriptID,'\n','\\n') ) parser.add_option('--column', dest='column', type='int', metavar = 'int', \ help='data column to discriminate phase 1 from 2 [%default]') parser.add_option('-t','--threshold', dest='threshold', type='float', metavar = 'float', \ help='threshold value to discriminate phase 1 from 2 [%default]') parser.add_option('--homogenization', dest='homogenization', type='int', metavar = 'int', \ help='homogenization index to be used [%default]') parser.add_option('--phase', dest='phase', type='int', nargs = 2, metavar = 'int int', \ help='two phase indices to be used %default') parser.add_option('--crystallite', dest='crystallite', type='int', metavar = 'int', \ help='crystallite index to be used [%default]') parser.add_option('-c', '--configuration', dest='config', action='store_true', \ help='output material configuration [%default]') parser.add_option('--compress', dest='compress', action='store_true', \ help='search for matching mircrostructure and texture and lump them [%default]') parser.add_option('-a', '--axes', dest='axes', type='string', nargs = 3, metavar = 'string string string', \ help='axes assignement of eulerangles x,y,z = %default') parser.set_defaults(column = 11) parser.set_defaults(threshold = 0.5) parser.set_defaults(homogenization = 1) parser.set_defaults(phase = [1,2]) parser.set_defaults(crystallite = 1) parser.set_defaults(config = False) parser.set_defaults(compress= False) parser.set_defaults(axes = ['y','x','-z']) (options,filenames) = parser.parse_args() for i in options.axes: if i.lower() not in ['x','+x','-x','y','+y','-y','z','+z','-z']: file['croak'].write('invalid axes %s %s %s' %(options.axes[0],options.axes[1],options.axes[2])) sys.exit() #--- 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('\033[1m'+scriptName+'\033[0m: '+file['name']+'\n') else: file['croak'].write('\033[1m'+scriptName+'\033[0m\n') info = { 'grid': np.ones (3,'i'), 'size': np.zeros(3,'d'), 'origin': np.zeros(3,'d'), 'microstructures': 0, 'homogenization': options.homogenization } step = [0,0] point = 0 for line in file['input']: words = line.split() if words[0] == '#': # process initial comments block if len(words) > 2: if words[2].lower() == 'hexgrid': file['croak'].write('The file has HexGrid format. Please first convert to SquareGrid...\n') sys.exit() if words[1] == 'XSTEP:': step[0] = float(words[2]) if words[1] == 'YSTEP:': step[1] = float(words[2]) if words[1] == 'NCOLS_ODD:': info['grid'][0] = int(words[2]) eulerangles = np.zeros((info['grid'][0]*info['grid'][1],3),dtype='f') phase = np.zeros(info['grid'][0]*info['grid'][1],dtype='i') if words[1] == 'NROWS:': info['grid'][1] = int(words[2]) eulerangles = np.zeros((info['grid'][0]*info['grid'][1],3),dtype='f') phase = np.zeros(info['grid'][0]*info['grid'][1],dtype='i') else: # finished with comments block phase[point] = options.phase[{True:0,False:1}[float(words[options.column-1])'] for i in xrange(len(texture)): textureOut += ['[Texture%s]\n'%str(i+1).zfill(formatOut) + \ 'axes %s %s %s\n'%(options.axes[0],options.axes[1],options.axes[2]) +\ '(gauss)\tphi1 %4.2f\tPhi %4.2f\tphi2 %4.2f\tscatter 0.0\tfraction 1.0\n'%tuple(eulerangles[texture[i],...]) ] formatOut = 1+int(math.log10(len(microstructure))) microstructureOut =[''] for i in xrange(len(microstructure)): microstructureOut += ['[Grain%s]\n'%str(i+1).zfill(formatOut) + \ 'crystallite\t%i\n'%options.crystallite + \ '(constituent)\tphase %i\ttexture %s\tfraction 1.0\n'%(phase[microstructure[i][1]],microstructure[i][0]+1) ] info['microstructures'] = len(microstructure) info['size'] = step[0]*info['grid'][0],step[1]*info['grid'][1],min(step) #--- 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 np.any(info['grid'] < 1): file['croak'].write('invalid grid a b c.\n') sys.exit() if np.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(microstructureOut) + \ '\n'.join(textureOut)) else: header = [scriptID + ' ' + ' '.join(sys.argv[1:]) + '\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)) if options.compress: matPoints = matPoints.reshape((info['grid'][1],info['grid'][0])) np.savetxt(file['output'],matPoints,fmt='%0'+str(1+int(math.log10(np.amax(matPoints))))+'d') else: 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])