#!/usr/bin/env python # -*- coding: UTF-8 no BOM -*- import os,sys,string,math 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 = """ Add quaternion and/or Bunge Euler angle representation of crystal lattice orientation. Orientation is given by quaternion, Euler angles, rotation matrix, or crystal frame coordinates (i.e. component vectors of rotation matrix). """, version = scriptID) outputChoices = ['quaternion','rodrigues','eulers'] parser.add_option('-o', '--output', dest = 'output', action = 'extend', metavar = '', help = 'output orientation formats {%s}'%(','.join(outputChoices))) parser.add_option('-r', '--rotation', dest='rotation', type = 'float', nargs = 4, metavar = ' '.join(['float']*4), help = 'angle and axis to (pre)rotate orientation') parser.add_option('-s', '--symmetry', dest = 'symmetry', type = 'choice', choices = damask.Symmetry.lattices[1:], metavar='string', help = 'crystal symmetry [%default] {{{}}} '.format(', '.join(damask.Symmetry.lattices[1:]))) parser.add_option('-e', '--eulers', dest = 'eulers', type = 'string', metavar = 'string', help = 'Euler angles label') parser.add_option('-d', '--degrees', dest = 'degrees', action = 'store_true', help = 'Euler angles are given in degrees [%default]') parser.add_option('-m', '--matrix', dest = 'matrix', type = 'string', metavar = 'string', help = 'orientation matrix label') parser.add_option('-a', dest = 'a', type = 'string', metavar = 'string', help = 'crystal frame a vector label') parser.add_option('-b', dest = 'b', type = 'string', metavar = 'string', help = 'crystal frame b vector label') parser.add_option('-c', dest = 'c', type = 'string', metavar = 'string', help = 'crystal frame c vector label') parser.add_option('-q', '--quaternion', dest = 'quaternion', type = 'string', metavar = 'string', help = 'quaternion label') parser.set_defaults(output = [], symmetry = damask.Symmetry.lattices[-1], rotation = (0.,1.,1.,1.), # no rotation about 1,1,1 degrees = False, ) (options, filenames) = parser.parse_args() options.output = map(lambda x: x.lower(), options.output) if options.output == [] or (not set(options.output).issubset(set(outputChoices))): parser.error('output must be chosen from {}.'.format(', '.join(outputChoices))) input = [options.eulers != None, options.a != None and \ options.b != None and \ options.c != None, options.matrix != None, options.quaternion != None, ] if np.sum(input) != 1: parser.error('needs exactly one input format.') (label,dim,inputtype) = [(options.eulers,3,'eulers'), ([options.a,options.b,options.c],[3,3,3],'frame'), (options.matrix,9,'matrix'), (options.quaternion,4,'quaternion'), ][np.where(input)[0][0]] # select input label that was requested toRadians = math.pi/180.0 if options.degrees else 1.0 # rescale degrees to radians r = damask.Quaternion().fromAngleAxis(toRadians*options.rotation[0],options.rotation[1:]) # pre-rotation # --- loop over input files ------------------------------------------------------------------------ if filenames == []: filenames = [None] for name in filenames: try: table = damask.ASCIItable(name = name, buffered = False) except: continue damask.util.report(scriptName,name) # ------------------------------------------ read header ------------------------------------------ table.head_read() # ------------------------------------------ sanity checks ----------------------------------------- errors = [] remarks = [] if not np.all(table.label_dimension(label) == dim): errors.append('input {} has wrong dimension {}.'.format(label,dim)) else: column = table.label_index(label) if remarks != []: damask.util.croak(remarks) if errors != []: damask.util.croak(errors) table.close(dismiss = True) continue # ------------------------------------------ assemble header --------------------------------------- table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:])) for output in options.output: if output == 'quaternion': table.labels_append(['{}_quat({})'.format( i+1,options.symmetry) for i in xrange(4)]) if output == 'rodrigues': table.labels_append(['{}_rodrigues({})'.format(i+1,options.symmetry) for i in xrange(3)]) if output == 'eulers': table.labels_append(['{}_eulers({})'.format( i+1,options.symmetry) for i in xrange(3)]) table.head_write() # ------------------------------------------ process data ------------------------------------------ outputAlive = True while outputAlive and table.data_read(): # read next data line of ASCII table if inputtype == 'eulers': o = damask.Orientation(Eulers = np.array(map(float,table.data[column:column+3]))*toRadians, symmetry = options.symmetry).reduced() elif inputtype == 'matrix': o = damask.Orientation(matrix = np.array(map(float,table.data[column:column+9])).reshape(3,3).transpose(), symmetry = options.symmetry).reduced() elif inputtype == 'frame': o = damask.Orientation(matrix = np.array(map(float,table.data[column[0]:column[0]+3] + \ table.data[column[1]:column[1]+3] + \ table.data[column[2]:column[2]+3])).reshape(3,3), symmetry = options.symmetry).reduced() elif inputtype == 'quaternion': o = damask.Orientation(quaternion = np.array(map(float,table.data[column:column+4])), symmetry = options.symmetry).reduced() o.quaternion = r*o.quaternion for output in options.output: if output == 'quaternion': table.data_append(o.asQuaternion()) if output == 'rodrigues': table.data_append(o.asRodrigues()) if output == 'eulers': table.data_append(o.asEulers('Bunge', degrees=options.degrees)) outputAlive = table.data_write() # output processed line # ------------------------------------------ output finalization ----------------------------------- table.close() # close ASCII tables