#!/usr/bin/env python # -*- coding: UTF-8 no BOM -*- import os,sys,math,string import numpy as np from optparse import OptionParser import damask scriptID = string.replace('$Id$','\n','\\n') scriptName = os.path.splitext(scriptID.split()[1])[0] #-------------------------------------------------------------------------------------------------- # MAIN #-------------------------------------------------------------------------------------------------- parser = OptionParser(option_class=damask.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. """, version = scriptID) parser.add_option('--column', dest='column', type='int', metavar = 'int', \ help='data column to discriminate between both phases [%default]') parser.add_option('-t','--threshold', dest='threshold', type='float', metavar = 'float', \ help='threshold value for phase discrimination [%default]') parser.add_option('--homogenization', dest='homogenization', type='int', metavar = 'int', \ help='homogenization index for configuration [%default]') parser.add_option('--phase', dest='phase', type='int', nargs = 2, metavar = 'int int', \ help='phase indices for configuration %default') parser.add_option('--crystallite', dest='crystallite', type='int', metavar = 'int', \ help='crystallite index for configuration [%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='lump identical microstructure and texture information [%default]') parser.add_option('-a', '--axes', dest='axes', nargs = 3, metavar = 'string string string', \ help='Euler angle coordinate system for configuration 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']: parser.error('invalid axes %s %s %s' %(options.axes[0],options.axes[1],options.axes[2])) #--- 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: file['croak'].write('\033[1m' + scriptName + '\033[0m: ' + (file['name'] if file['name'] != 'STDIN' else '') + '\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') break 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[int(float(words[options.column-1]) > options.threshold)] eulerangles[point,...] = map(lambda x: math.degrees(float(x)), words[:3]) point += 1 if info['grid'].prod() != point: file['croak'].write('Error: found %s microstructures. Header info in ang file might be wrong.\n'%point) continue if options.compress: texture = [] microstructure = [] otherPoint = -1 # ensure to create first microstructure matPoints = np.zeros(info['grid'].prod(),dtype='i') # index of microstructure in geom file for myPoint in xrange(info['grid'].prod()): myTexture = -1 for otherPoint in xrange(len(microstructure)): otherEulers = eulerangles[texture[microstructure[otherPoint][0]]] otherPhase = microstructure[otherPoint][1] if all(abs(eulerangles[myPoint]-otherEulers)<1e-6) and phase[myPoint] == otherPhase: # common microstructure matPoints[myPoint] = otherPoint+1 # use other point's microstructure, +1 because starting with 1 (.config) instead of 0 (python) otherPoint = -2 # never create new microstructure break elif all(eulerangles[myPoint] == otherEulers): # found common texture and store it myTexture = microstructure[otherPoint][0] if otherPoint == len(microstructure)-1: # did not found matching microstructure if myTexture == -1: # did not even found matching texture myTexture = len(texture) texture.append(myPoint) microstructure.append([myTexture,phase[myPoint]]) matPoints[myPoint] = len(microstructure) # use the new microstructure else: texture = [i for i in xrange(info['grid'][0]*info['grid'][1])] microstructure = [[i,phase[i]] for i in xrange(info['grid'][0]*info['grid'][1])] formatOut = 1+int(math.log10(len(texture))) textureOut =['\n\n'] for i in xrange(len(texture)): textureOut += ['[Texture%s]\n'%str(texture[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 %i\tfraction 1.0\n'%(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') continue if np.any(info['size'] <= 0.0): file['croak'].write('invalid size x y z.\n') continue #--- write data ----------------------------------------------------------------------------------- if options.config: file['output'].write('\n'.join(microstructureOut+ textureOut) + '\n') else: header = [' '.join([scriptID] + sys.argv[1:]), "grid\ta %i\tb %i\tc %i"%(info['grid'][0],info['grid'][1],info['grid'][2],), "size\tx %f\ty %f\tz %f"%(info['size'][0],info['size'][1],info['size'][2],), "origin\tx %f\ty %f\tz %f"%(info['origin'][0],info['origin'][1],info['origin'][2],), "microstructures\t%i"%info['microstructures'], "homogenization\t%i"%info['homogenization'], ] file['output'].write('\n'.join(['%i\theader'%(len(header))] + header) + '\n') 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] +'%s'%('_material.config' if options.config else '.geom'))