#!/usr/bin/env python import os,re,sys,math,string,damask,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) def integerFactorization(i): j = int(math.floor(math.sqrt(float(i)))) while (j>1 and int(i)%j != 0): j -= 1 return j def positiveRadians(angle): angle = math.radians(float(angle)) while angle < 0.0: angle += 2.0*math.pi return angle def getHeader(sizeX,sizeY,step): return [ \ '# TEM_PIXperUM 1.000000', \ '# x-star 0.509548', \ '# y-star 0.795272', \ '# z-star 0.611799', \ '# WorkingDistance 18.000000', \ '#', \ '# Phase 1', \ '# MaterialName Al', \ '# Formula Fe', \ '# Info', \ '# Symmetry 43', \ '# LatticeConstants 2.870 2.870 2.870 90.000 90.000 90.000', \ '# NumberFamilies 4', \ '# hklFamilies 1 1 0 1 0.000000 1', \ '# hklFamilies 2 0 0 1 0.000000 1', \ '# hklFamilies 2 1 1 1 0.000000 1', \ '# hklFamilies 3 1 0 1 0.000000 1', \ '# Categories 0 0 0 0 0 ', \ '#', \ '# GRID: SquareGrid', \ '# XSTEP: ' + str(step), \ '# YSTEP: ' + str(step), \ '# NCOLS_ODD: ' + str(sizeX), \ '# NCOLS_EVEN: ' + str(sizeX), \ '# NROWS: ' + str(sizeY), \ '#', \ '# OPERATOR: ODFsammpling', \ '#', \ '# SAMPLEID: ', \ '#', \ '# SCANID: ', \ '#', \ ] # -------------------------------------------------------------------- # MAIN # -------------------------------------------------------------------- parser = OptionParser(option_class=extendableOption, usage='%prog options [file[s]]', description = """ Builds an ang file out of ASCII table. """ + string.replace('$Id$','\n','\\n') ) parser.add_option('--coords', dest='coords', type='string', \ help='label of coords in ASCII table') parser.set_defaults(norm = 'ip') (options,filenames) = parser.parse_args() datainfo = { 'vector': {'len':3, 'label':[]} } datainfo['vector']['label'] += ['eulerangles'] # ------------------------------------------ setup file handles --------------------------------------- files = [] if filenames == []: files.append({'name':'STDIN', 'input':sys.stdin, 'output':sys.stdout}) else: for name in filenames: if os.path.exists(name): files.append({'name':name, 'input':open(name)}) # ------------------------------------------ loop over input files --------------------------------------- for file in files: if file['name'] != 'STDIN': print file['name'] table = damask.ASCIItable(file['input']) # open ASCII_table for reading table.head_read() # read ASCII header info # --------------- figure out dimension and resolution try: locationCol = table.labels.index('ip.x') # columns containing location data except ValueError: print 'no coordinate data found...' continue grid = [{},{},{}] while table.data_read(): # read next data line of ASCII table for j in xrange(3): grid[j][str(table.data[locationCol+j])] = True # remember coordinate along x,y,z resolution = numpy.array([len(grid[0]),\ len(grid[1]),\ len(grid[2]),],'i') # resolution is number of distinct coordinates found dimension = resolution/numpy.maximum(numpy.ones(3,'d'),resolution-1.0)* \ numpy.array([max(map(float,grid[0].keys()))-min(map(float,grid[0].keys())),\ max(map(float,grid[1].keys()))-min(map(float,grid[1].keys())),\ max(map(float,grid[2].keys()))-min(map(float,grid[2].keys())),\ ],'d') # dimension from bounding box, corrected for cell-centeredness if resolution[2] == 1: dimension[2] = min(dimension[:2]/resolution[:2]) N = resolution.prod() print '\t%s @ %s'%(dimension,resolution) # --------------- figure out columns to process active = {} column = {} values = {} divergence = {} head = [] for datatype,info in datainfo.items(): for label in info['label']: key = {True :'1_%s', False:'%s' }[info['len']>1]%label if key not in table.labels: sys.stderr.write('column %s not found...\n'%key) else: if datatype not in active: active[datatype] = [] if datatype not in column: column[datatype] = {} if datatype not in values: values[datatype] = {} if datatype not in divergence: divergence[datatype] = {} if label not in divergence[datatype]: divergence[datatype][label] = {} active[datatype].append(label) column[datatype][label] = table.labels.index(key) # remember columns of requested data values[datatype][label] = numpy.array([0.0 for i in xrange(N*datainfo[datatype]['len'])]) # ------------------------------------------ read value field --------------------------------------- table.data_rewind() print values['vector']['eulerangles'] print numpy.shape(values['vector']['eulerangles']) idx = 0 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 curls values[datatype][label][idx:idx+3]= numpy.array(map(float,table.data[column[datatype][label]: column[datatype][label]+datainfo[datatype]['len']]),'d') idx+=3 for z in xrange(resolution[2]): fileOut=open(os.path.join(os.path.dirname(name),os.path.splitext(os.path.basename(name))[0]+'_%s.ang'%z),'w') for line in getHeader(resolution[0],resolution[1],1.0): fileOut.write(line + '\n') # write data for counter in xrange(resolution[0]*resolution[1]): print z*resolution[0]*resolution[1]*3+counter*3,' - ',z*resolution[0]*resolution[1]*3+counter*3+3 fileOut.write(''.join(['%10.5f'%positiveRadians(angle) for angle in values['vector']['eulerangles'][z*resolution[0]*resolution[1]*3+counter*3:z*resolution[0]*resolution[1]*3+counter*3+3]])+ ''.join(['%10.5f'%coord for coord in [counter%resolution[0],counter//resolution[1]]])+ ' 100.0 1.0 0 1 1.0\n') counter += 1 fileOut.close()