added output selection “rodrigues”
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9c91ba4608
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@ -19,7 +19,7 @@ Orientation is given by quaternion, Euler angles, rotation matrix, or crystal fr
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""", version = scriptID)
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""", version = scriptID)
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outputChoices = ['quaternion','eulers']
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outputChoices = ['quaternion','rodrigues','eulers']
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parser.add_option('-o', '--output',
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parser.add_option('-o', '--output',
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dest = 'output',
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dest = 'output',
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action = 'extend', metavar = '<string LIST>',
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action = 'extend', metavar = '<string LIST>',
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@ -126,7 +126,8 @@ for name in filenames:
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table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
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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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for output in options.output:
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if output == 'quaternion': table.labels_append(['{}_quat({})'.format( i+1,options.symmetry) for i in xrange(4)])
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if output == 'quaternion': table.labels_append(['{}_quat({})'.format( i+1,options.symmetry) for i in xrange(4)])
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if output == 'eulers': table.labels_append(['{}_eulers({})'.format(i+1,options.symmetry) for i in xrange(3)])
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if output == 'rodrigues': table.labels_append(['{}_rodrigues({})'.format(i+1,options.symmetry) for i in xrange(3)])
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if output == 'eulers': table.labels_append(['{}_eulers({})'.format( i+1,options.symmetry) for i in xrange(3)])
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table.head_write()
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table.head_write()
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# ------------------------------------------ process data ------------------------------------------
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# ------------------------------------------ process data ------------------------------------------
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@ -152,6 +153,7 @@ for name in filenames:
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for output in options.output:
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for output in options.output:
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if output == 'quaternion': table.data_append(o.asQuaternion())
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if output == 'quaternion': table.data_append(o.asQuaternion())
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if output == 'rodrigues': table.data_append(o.asRodrigues())
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if output == 'eulers': table.data_append(o.asEulers('Bunge', degrees=options.degrees))
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if output == 'eulers': table.data_append(o.asEulers('Bunge', degrees=options.degrees))
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outputAlive = table.data_write() # output processed line
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outputAlive = table.data_write() # output processed line
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