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DAMASK_EICMD
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added possibility to reduce rotation to specific fundamental zone, and to output 3-dim Rodrigues vector

This commit is contained in:
Philip Eisenlohr 2019-09-10 15:08:49 -04:00
parent b7bd56ecd7
commit 926217fcb6
1 changed files with 21 additions and 11 deletions
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30
processing/post/addOrientations.py
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@ -27,6 +27,7 @@ Additional (globally fixed) rotations of the lab frame and/or crystal frame can
representations = { representations = {
'quaternion': ['qu',4], 'quaternion': ['qu',4],
'rodrigues': ['ro',4], 'rodrigues': ['ro',4],
'Rodrigues': ['Ro',3],
'eulers': ['eu',3], 'eulers': ['eu',3],
'matrix': ['om',9], 'matrix': ['om',9],
'angleaxis': ['ax',4], 'angleaxis': ['ax',4],
@ -80,15 +81,20 @@ parser.add_option('-z',
dest = 'z', dest = 'z',
metavar = 'string', metavar = 'string',
help = 'label of lab z vector (expressed in crystal coords)') help = 'label of lab z vector (expressed in crystal coords)')
parser.add_option('--lattice',
dest = 'lattice',
metavar = 'string',
help = 'lattice structure to reduce rotation into fundamental zone')
parser.set_defaults(output = [], parser.set_defaults(output = [],
labrotation = (1.,1.,1.,0.), # no rotation about (1,1,1) labrotation = (1.,1.,1.,0.), # no rotation about (1,1,1)
crystalrotation = (1.,1.,1.,0.), # no rotation about (1,1,1) crystalrotation = (1.,1.,1.,0.), # no rotation about (1,1,1)
lattice = None,
) )
(options, filenames) = parser.parse_args() (options, filenames) = parser.parse_args()
options.output = list(map(lambda x: x.lower(), options.output)) #options.output = list(map(lambda x: x.lower(), options.output))
if options.output == [] or (not set(options.output).issubset(set(representations))): if options.output == [] or (not set(options.output).issubset(set(representations))):
parser.error('output must be chosen from {}.'.format(', '.join(representations))) parser.error('output must be chosen from {}.'.format(', '.join(representations)))
@ -121,7 +127,7 @@ if filenames == []: filenames = [None]
for name in filenames: for name in filenames:
try: table = damask.ASCIItable(name = name, try: table = damask.ASCIItable(name = name,
buffered = False) buffered = False)
except: continue except Exception: continue
damask.util.report(scriptName,name) damask.util.report(scriptName,name)
# ------------------------------------------ read header ------------------------------------------ # ------------------------------------------ read header ------------------------------------------
@ -156,16 +162,16 @@ for name in filenames:
outputAlive = True outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table while outputAlive and table.data_read(): # read next data line of ASCII table
if inputtype == 'eulers': if inputtype == 'eulers':
l = representations['eulers'][1] d = representations['eulers'][1]
o = damask.Rotation.fromEulers(list(map(float,table.data[column:column+l])),options.degrees) o = damask.Rotation.fromEulers(list(map(float,table.data[column:column+d])),options.degrees)
elif inputtype == 'rodrigues': elif inputtype == 'rodrigues':
l = representations['rodrigues'][1] d = representations['rodrigues'][1]
o = damask.Rotation.fromRodrigues(list(map(float,table.data[column:column+l]))) o = damask.Rotation.fromRodrigues(list(map(float,table.data[column:column+d])))
elif inputtype == 'matrix': elif inputtype == 'matrix':
l = representations['matrix'][1] d = representations['matrix'][1]
o = damask.Rotation.fromMatrix(list(map(float,table.data[column:column+l]))) o = damask.Rotation.fromMatrix(list(map(float,table.data[column:column+d])))
elif inputtype == 'frame': elif inputtype == 'frame':
M = np.array(list(map(float,table.data[column[0]:column[0]+3] + \ M = np.array(list(map(float,table.data[column[0]:column[0]+3] + \
@ -174,14 +180,18 @@ for name in filenames:
o = damask.Rotation.fromMatrix(M/np.linalg.norm(M,axis=0)) o = damask.Rotation.fromMatrix(M/np.linalg.norm(M,axis=0))
elif inputtype == 'quaternion': elif inputtype == 'quaternion':
l = representations['quaternion'][1] d = representations['quaternion'][1]
o = damask.Rotation.fromQuaternion(list(map(float,table.data[column:column+l]))) o = damask.Rotation.fromQuaternion(list(map(float,table.data[column:column+d])))
o = r*o*R # apply additional lab and crystal frame rotations o = r*o*R # apply additional lab and crystal frame rotations
if options.lattice is not None:
o = damask.Orientation(rotation = o,lattice = options.lattice).reduced().rotation
for output in options.output: for output in options.output:
if output == 'quaternion': table.data_append(o.asQuaternion()) if output == 'quaternion': table.data_append(o.asQuaternion())
elif output == 'rodrigues': table.data_append(o.asRodrigues()) elif output == 'rodrigues': table.data_append(o.asRodrigues())
elif output == 'Rodrigues': table.data_append(o.asRodrigues(vector=True))
elif output == 'eulers': table.data_append(o.asEulers(degrees=options.degrees)) elif output == 'eulers': table.data_append(o.asEulers(degrees=options.degrees))
elif output == 'matrix': table.data_append(o.asMatrix()) elif output == 'matrix': table.data_append(o.asMatrix())
elif output == 'angleaxis': table.data_append(o.asAxisAngle(degrees=options.degrees)) elif output == 'angleaxis': table.data_append(o.asAxisAngle(degrees=options.degrees))