added option to pre-rotate orientation (change lab frame)
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@ -3,6 +3,7 @@
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import os,sys,string,itertools,re,math,numpy
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import damask
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from collections import defaultdict
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from optparse import OptionParser, OptionGroup, Option, SUPPRESS_HELP
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scriptID = '$Id$'
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@ -34,14 +35,16 @@ rotation matrix, or crystal frame coordinates (i.e. component vectors of rotatio
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""" + string.replace(scriptID,'\n','\\n')
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)
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parser.add_option('-o', '--orientations', dest='output', action='append', metavar='<LIST>',
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parser.add_option('-o', '--output', dest='output', action='append', metavar='<LIST>',
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help = 'output orientation formats')
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parser.add_option('-s', '--symmetry', dest='symmetry', type='string',
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help = 'crystal symmetry [%default]')
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parser.add_option('-r', '--rotation', dest='rotation', type='float', nargs=4,
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help = 'angle and axis to (pre)rotate orientation')
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parser.add_option('-e', '--eulers', dest='eulers', type='string', metavar='LABEL',
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help = 'Euler angles')
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parser.add_option('-d', '--degrees', dest='degrees', action='store_true',
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help = 'Euler angles are given in degrees [%default]')
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help = 'Angles are given in degrees [%default]')
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parser.add_option('-m', '--matrix', dest='matrix', type='string', metavar='LABEL',
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help = 'orientation matrix')
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parser.add_option('-a', dest='a', type='string', metavar='LABEL',
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@ -55,6 +58,7 @@ parser.add_option('-q', '--quaternion', dest='quaternion', type='string', metava
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parser.set_defaults(output = [])
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parser.set_defaults(symmetry = 'cubic')
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parser.set_defaults(rotation = [0.,1.,1.,1.]) # no rotation about 1,1,1
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parser.set_defaults(degrees = False)
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(options, filenames) = parser.parse_args()
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@ -78,6 +82,8 @@ if options.quaternion != None: datainfo['quaternion']['label'] += [options.quat
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toRadians = math.pi/180.0 if options.degrees else 1.0 # rescale degrees to radians
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options.output = map(lambda x: x.lower(), options.output)
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r = damask.Quaternion().fromAngleAxis(toRadians*options.rotation[0],options.rotation[1:])
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# ------------------------------------------ setup file handles ---------------------------------------
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files = []
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@ -98,9 +104,8 @@ for file in files:
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table.info_append(string.replace(scriptID,'\n','\\n') + '\t' + ' '.join(sys.argv[1:]))
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# --------------- figure out columns to process
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active = {}
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column = {}
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head = []
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active = defaultdict(list)
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column = defaultdict(dict)
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for datatype,info in datainfo.items():
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for label in info['label']:
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@ -108,8 +113,6 @@ for file in files:
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for key in ['1_'+label,label]:
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if key in table.labels:
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foundIt = True
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if datatype not in active: active[datatype] = []
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if datatype not in column: column[datatype] = {}
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active[datatype].append(label)
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column[datatype][label] = table.labels.index(key) # remember columns of requested data
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if not foundIt:
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@ -152,6 +155,9 @@ for file in files:
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column['quaternion'][options.quaternion]+datainfo['quaternion']['len']])),
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symmetry=options.symmetry).reduced()
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o.quaternion = r*o.quaternion
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for output in options.output:
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if output == 'quaternion':
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table.data_append(o.asQuaternion())
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