more output options, frame input changed to "lab expressed in crystal"
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Philip Eisenlohr
parent
3d7a73a0de
commit
ac45a9e2d3
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@ -21,19 +21,22 @@ Additional (globally fixed) rotations of the lab frame and/or crystal frame can
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""", version = scriptID)
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outputChoices = ['quaternion','rodrigues','eulers']
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outputChoices = {
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'quaternion': ['quat',4],
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'rodrigues': ['rodr',3],
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'eulers': ['eulr',3],
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'matrix': ['mtrx',9],
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'angleaxis': ['aaxs',4],
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}
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parser.add_option('-o', '--output',
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dest = 'output',
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action = 'extend', metavar = '<string LIST>',
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help = 'output orientation formats {{{}}}'.format(', '.join(outputChoices)))
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parser.add_option('-s', '--symmetry',
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dest = 'symmetry',
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type = 'choice', choices = damask.Symmetry.lattices[1:], metavar='string',
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help = 'crystal symmetry [%default] {{{}}} '.format(', '.join(damask.Symmetry.lattices[1:])))
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parser.add_option('-d', '--degrees',
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dest = 'degrees',
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action = 'store_true',
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help = 'angles are given in degrees [%default]')
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help = 'all angles in degrees')
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parser.add_option('-R', '--labrotation',
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dest='labrotation',
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type = 'float', nargs = 4, metavar = ' '.join(['float']*4),
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@ -58,21 +61,20 @@ parser.add_option( '--quaternion',
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dest = 'quaternion',
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type = 'string', metavar = 'string',
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help = 'quaternion label')
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parser.add_option('-a',
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dest = 'a',
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parser.add_option('-x',
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dest = 'x',
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type = 'string', metavar = 'string',
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help = 'crystal frame a vector label')
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parser.add_option('-b',
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dest = 'b',
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help = 'label of lab x vector (expressed in crystal coords)')
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parser.add_option('-y',
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dest = 'y',
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type = 'string', metavar = 'string',
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help = 'crystal frame b vector label')
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parser.add_option('-c',
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dest = 'c',
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help = 'label of lab y vector (expressed in crystal coords)')
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parser.add_option('-z',
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dest = 'z',
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type = 'string', metavar = 'string',
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help = 'crystal frame c vector label')
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help = 'label of lab z vector (expressed in crystal coords)')
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parser.set_defaults(output = [],
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symmetry = damask.Symmetry.lattices[-1],
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labrotation = (0.,1.,1.,1.), # no rotation about 1,1,1
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crystalrotation = (0.,1.,1.,1.), # no rotation about 1,1,1
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degrees = False,
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@ -86,9 +88,9 @@ if options.output == [] or (not set(options.output).issubset(set(outputChoices))
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input = [options.eulers is not None,
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options.rodrigues is not None,
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options.a is not None and \
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options.b is not None and \
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options.c is not None,
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options.x is not None and \
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options.y is not None and \
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options.z is not None,
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options.matrix is not None,
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options.quaternion is not None,
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]
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@ -97,13 +99,13 @@ if np.sum(input) != 1: parser.error('needs exactly one input format.')
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(label,dim,inputtype) = [(options.eulers,3,'eulers'),
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(options.rodrigues,3,'rodrigues'),
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([options.a,options.b,options.c],[3,3,3],'frame'),
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([options.x,options.y,options.z],[3,3,3],'frame'),
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(options.matrix,9,'matrix'),
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(options.quaternion,4,'quaternion'),
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][np.where(input)[0][0]] # select input label that was requested
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toRadians = math.pi/180.0 if options.degrees else 1.0 # rescale degrees to radians
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r = damask.Quaternion().fromAngleAxis(toRadians*options.crystalrotation[0],options.crystalrotation[1:]) # crystal frame rotation
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R = damask.Quaternion().fromAngleAxis(toRadians*options. labrotation[0],options. labrotation[1:]) # lab frame rotation
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r = damask.Quaternion.fromAngleAxis(toRadians*options.crystalrotation[0],options.crystalrotation[1:]) # crystal frame rotation
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R = damask.Quaternion.fromAngleAxis(toRadians*options. labrotation[0],options. labrotation[1:]) # lab frame rotation
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# --- loop over input files ------------------------------------------------------------------------
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@ -137,9 +139,9 @@ for name in filenames:
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table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
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for output in options.output:
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if output == 'quaternion': table.labels_append(['{}_{}_{}({})'.format(i+1,'quat',options.symmetry,label) for i in range(4)])
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elif output == 'rodrigues': table.labels_append(['{}_{}_{}({})'.format(i+1,'rodr',options.symmetry,label) for i in range(3)])
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elif output == 'eulers': table.labels_append(['{}_{}_{}({})'.format(i+1,'eulr',options.symmetry,label) for i in range(3)])
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if output in outputChoices:
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table.labels_append(['{}_{}({})'.format(i+1,outputChoices[output][0],label) \
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for i in range(outputChoices[output][1])])
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table.head_write()
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# ------------------------------------------ process data ------------------------------------------
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@ -147,22 +149,18 @@ for name in filenames:
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outputAlive = True
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while outputAlive and table.data_read(): # read next data line of ASCII table
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if inputtype == 'eulers':
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o = damask.Orientation(Eulers = np.array(list(map(float,table.data[column:column+3])))*toRadians,
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symmetry = options.symmetry).reduced()
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o = damask.Orientation(Eulers = np.array(list(map(float,table.data[column:column+3])))*toRadians)
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elif inputtype == 'rodrigues':
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o = damask.Orientation(Rodrigues= np.array(list(map(float,table.data[column:column+3]))),
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symmetry = options.symmetry).reduced()
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o = damask.Orientation(Rodrigues= np.array(list(map(float,table.data[column:column+3]))))
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elif inputtype == 'matrix':
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o = damask.Orientation(matrix = np.array(list(map(float,table.data[column:column+9]))).reshape(3,3).transpose(),
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symmetry = options.symmetry).reduced()
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o = damask.Orientation(matrix = np.array(list(map(float,table.data[column:column+9]))).reshape(3,3))
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elif inputtype == 'frame':
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o = damask.Orientation(matrix = np.array(list(map(float,table.data[column[0]:column[0]+3] + \
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M = np.array(list(map(float,table.data[column[0]:column[0]+3] + \
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table.data[column[1]:column[1]+3] + \
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table.data[column[2]:column[2]+3]))).reshape(3,3),
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symmetry = options.symmetry).reduced()
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table.data[column[2]:column[2]+3]))).reshape(3,3).T
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o = damask.Orientation(matrix = M/np.linalg.norm(M,axis=0))
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elif inputtype == 'quaternion':
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o = damask.Orientation(quaternion = np.array(list(map(float,table.data[column:column+4]))),
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symmetry = options.symmetry).reduced()
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o = damask.Orientation(quaternion = np.array(list(map(float,table.data[column:column+4]))))
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o.quaternion = r*o.quaternion*R # apply additional lab and crystal frame rotations
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@ -170,6 +168,8 @@ for name in filenames:
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if output == 'quaternion': table.data_append(o.asQuaternion())
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elif output == 'rodrigues': table.data_append(o.asRodrigues())
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elif output == 'eulers': table.data_append(o.asEulers(degrees=options.degrees))
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elif output == 'matrix': table.data_append(o.asMatrix())
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elif output == 'angleaxis': table.data_append(o.asAngleAxis(degrees=options.degrees,flat=True))
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outputAlive = table.data_write() # output processed line
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# ------------------------------------------ output finalization -----------------------------------
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