151 lines
6.4 KiB
Python
Executable File
151 lines
6.4 KiB
Python
Executable File
#!/usr/bin/env python3
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import os
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import sys
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from io import StringIO
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from optparse import OptionParser
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import numpy as np
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import damask
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scriptName = os.path.splitext(os.path.basename(__file__))[0]
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scriptID = ' '.join([scriptName,damask.version])
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# --------------------------------------------------------------------
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# MAIN
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# --------------------------------------------------------------------
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
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Add quaternion and/or Bunge Euler angle representation of crystal lattice orientation.
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Orientation is given by quaternion, Euler angles, rotation matrix, or crystal frame coordinates
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(i.e. component vectors of rotation matrix).
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Additional (globally fixed) rotations of the lab frame and/or crystal frame can be applied.
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""", version = scriptID)
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representations = ['quaternion', 'rodrigues', 'eulers', 'matrix', 'axisangle']
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parser.add_option('-o',
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'--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(representations)))
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parser.add_option('-d',
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'--degrees',
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dest = 'degrees',
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action = 'store_true',
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help = 'all angles in degrees')
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parser.add_option('-R',
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'--labrotation',
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dest='labrotation',
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type = 'float', nargs = 4, metavar = ' '.join(['float']*4),
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help = 'axis and angle of additional lab frame rotation [%default]')
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parser.add_option('-r',
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'--crystalrotation',
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dest='crystalrotation',
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type = 'float', nargs = 4, metavar = ' '.join(['float']*4),
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help = 'axis and angle of additional crystal frame rotation [%default]')
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parser.add_option('--eulers',
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dest = 'eulers',
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metavar = 'string',
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help = 'Euler angles label')
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parser.add_option('--rodrigues',
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dest = 'rodrigues',
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metavar = 'string',
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help = 'Rodrigues vector label')
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parser.add_option('--matrix',
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dest = 'matrix',
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metavar = 'string',
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help = 'orientation matrix label')
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parser.add_option('--quaternion',
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dest = 'quaternion',
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metavar = 'string',
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help = 'quaternion label')
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parser.add_option('-x',
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dest = 'x',
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metavar = 'string',
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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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metavar = 'string',
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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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metavar = 'string',
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help = 'label of lab z vector (expressed in crystal coords)')
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parser.add_option('--lattice',
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dest = 'lattice',
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metavar = 'string',
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help = 'lattice structure to reduce rotation into fundamental zone')
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parser.set_defaults(output = [],
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labrotation = (1.,1.,1.,0.), # no rotation about (1,1,1)
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crystalrotation = (1.,1.,1.,0.), # no rotation about (1,1,1)
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lattice = None,
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)
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(options, filenames) = parser.parse_args()
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if filenames == []: filenames = [None]
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if options.output == [] or (not set(options.output).issubset(set(representations))):
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parser.error('output must be chosen from {}.'.format(', '.join(representations)))
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input = [options.eulers is not None,
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options.rodrigues 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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if np.sum(input) != 1: parser.error('needs exactly one input format.')
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r = damask.Rotation.from_axis_angle(np.array(options.crystalrotation),options.degrees,normalise=True)
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R = damask.Rotation.from_axis_angle(np.array(options.labrotation),options.degrees,normalise=True)
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for name in filenames:
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damask.util.report(scriptName,name)
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table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
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if options.eulers is not None:
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label = options.eulers
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print(np.max(table.get(options.eulers),axis=0))
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o = damask.Rotation.from_Eulers(table.get(options.eulers), options.degrees)
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elif options.rodrigues is not None:
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label = options.rodrigues
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o = damask.Rotation.from_Rodrigues(table.get(options.rodrigues))
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elif options.matrix is not None:
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label = options.matrix
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o = damask.Rotation.from_matrix(table.get(options.matrix).reshape(-1,3,3))
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elif options.x is not None:
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label = '<{},{},{}>'.format(options.x,options.y,options.z)
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M = np.block([table.get(options.x),table.get(options.y),table.get(options.z)]).reshape(-1,3,3)
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o = damask.Rotation.from_matrix(M/np.linalg.norm(M,axis=0))
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elif options.quaternion is not None:
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label = options.quaternion
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o = damask.Rotation.from_quaternion(table.get(options.quaternion))
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o = r.broadcast_to(o.shape) @ o @ R.broadcast_to(o.shape)
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#if options.lattice is not None:
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# o = damask.Orientation(rotation = o,lattice = options.lattice).reduced().rotation
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if 'rodrigues' in options.output:
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table.add('ro({})'.format(label),o.as_Rodrigues(), scriptID+' '+' '.join(sys.argv[1:]))
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if 'eulers' in options.output:
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table.add('eu({})'.format(label),o.as_Eulers(options.degrees), scriptID+' '+' '.join(sys.argv[1:]))
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if 'quaternion' in options.output:
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table.add('qu({})'.format(label),o.as_quaternion(), scriptID+' '+' '.join(sys.argv[1:]))
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if 'matrix' in options.output:
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table.add('om({})'.format(label),o.as_matrix(), scriptID+' '+' '.join(sys.argv[1:]))
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if 'axisangle' in options.output:
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table.add('om({})'.format(label),o.as_axisangle(options.degrees), scriptID+' '+' '.join(sys.argv[1:]))
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table.to_file(sys.stdout if name is None else name)
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