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DAMASK_EICMD
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rodrigues is 4-vector with rotation being the last component 

established a single source of truth for length
This commit is contained in:
Martin Diehl 2019-02-12 08:58:23 +01:00
parent 97ac437686
commit 336a80091f
2 changed files with 30 additions and 26 deletions
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42
processing/post/addOrientations.py
View File

@ -21,19 +21,19 @@ Additional (globally fixed) rotations of the lab frame and/or crystal frame can
""", version = scriptID) """, version = scriptID)
outputChoices = { representations = {
'quaternion': ['quat',4], 'quaternion': ['quat',4], #ToDo: Use here Rowenhorst names (qu/ro/om/ax?)
'rodrigues': ['rodr',3], 'rodrigues': ['rodr',4],
'eulers': ['eulr',3], 'eulers': ['eulr',3],
'matrix': ['mtrx',9], 'matrix': ['mtrx',9],
'angleaxis': ['aaxs',4], 'angleaxis': ['aaxs',4],
} }
parser.add_option('-o', parser.add_option('-o',
'--output', '--output',
dest = 'output', dest = 'output',
action = 'extend', metavar = '<string LIST>', action = 'extend', metavar = '<string LIST>',
help = 'output orientation formats {{{}}}'.format(', '.join(outputChoices))) help = 'output orientation formats {{{}}}'.format(', '.join(representations)))
parser.add_option('-d', parser.add_option('-d',
'--degrees', '--degrees',
dest = 'degrees', dest = 'degrees',
@ -87,8 +87,8 @@ parser.set_defaults(output = [],
(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(outputChoices))): if options.output == [] or (not set(options.output).issubset(set(representations))):
parser.error('output must be chosen from {}.'.format(', '.join(outputChoices))) parser.error('output must be chosen from {}.'.format(', '.join(representations)))
input = [options.eulers is not None, input = [options.eulers is not None,
options.rodrigues is not None, options.rodrigues is not None,
@ -101,11 +101,11 @@ input = [options.eulers is not None,
if np.sum(input) != 1: parser.error('needs exactly one input format.') if np.sum(input) != 1: parser.error('needs exactly one input format.')
(label,dim,inputtype) = [(options.eulers,3,'eulers'), (label,dim,inputtype) = [(options.eulers,representations['eulers'][1],'eulers'),
(options.rodrigues,3,'rodrigues'), (options.rodrigues,representations['rodrigues'][1],'rodrigues'),
([options.x,options.y,options.z],[3,3,3],'frame'), ([options.x,options.y,options.z],[3,3,3],'frame'),
(options.matrix,9,'matrix'), (options.matrix,representations['matrix'][1],'matrix'),
(options.quaternion,4,'quaternion'), (options.quaternion,representations['quaternion'][1],'quaternion'),
][np.where(input)[0][0]] # select input label that was requested ][np.where(input)[0][0]] # select input label that was requested
r = damask.Rotation.fromAngleAxis(options.crystalrotation,options.degrees) # crystal frame rotation r = damask.Rotation.fromAngleAxis(options.crystalrotation,options.degrees) # crystal frame rotation
@ -143,9 +143,9 @@ for name in filenames:
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:])) table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
for output in options.output: for output in options.output:
if output in outputChoices: if output in representations:
table.labels_append(['{}_{}({})'.format(i+1,outputChoices[output][0],label) \ table.labels_append(['{}_{}({})'.format(i+1,representations[output][0],label) \
for i in range(outputChoices[output][1])]) for i in range(representations[output][1])])
table.head_write() table.head_write()
# ------------------------------------------ process data ------------------------------------------ # ------------------------------------------ process data ------------------------------------------
@ -153,13 +153,16 @@ 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':
o = damask.Rotation.fromEulers(list(map(float,table.data[column:column+3])),options.degrees) l = representations['eulers'][1]
o = damask.Rotation.fromEulers(list(map(float,table.data[column:column+l])),options.degrees)
elif inputtype == 'rodrigues': elif inputtype == 'rodrigues':
o = damask.Rotation.fromRodrigues(list(map(float,table.data[column:column+3]))) l = representations['rodrigues'][1]
o = damask.Rotation.fromRodrigues(list(map(float,table.data[column:column+l])))
elif inputtype == 'matrix': elif inputtype == 'matrix':
o = damask.Rotation.fromMatrix(list(map(float,table.data[column:column+9])).reshape(3,3)) l = representations['matrix'][1]
o = damask.Rotation.fromMatrix(list(map(float,table.data[column:column+l])))
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] + \
@ -168,7 +171,8 @@ 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':
o = damask.Rotation.fromQuaternion(list(map(float,table.data[column:column+4]))) l = representations['quaternion'][1]
o = damask.Rotation.fromQuaternion(list(map(float,table.data[column:column+l])))
o= r*o*R # apply additional lab and crystal frame rotations o= r*o*R # apply additional lab and crystal frame rotations
@ -177,7 +181,7 @@ for name in filenames:
elif output == 'rodrigues': table.data_append(o.asRodrigues()) elif output == 'rodrigues': table.data_append(o.asRodrigues())
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.asAngleAxis(degrees=options.degrees,flat=True)) elif output == 'angleaxis': table.data_append(o.asAngleAxis(degrees=options.degrees))
outputAlive = table.data_write() # output processed line outputAlive = table.data_write() # output processed line
# ------------------------------------------ output finalization ----------------------------------- # ------------------------------------------ output finalization -----------------------------------

14
python/damask/orientation.py
View File

@ -336,7 +336,7 @@ class Rotation:
matrix, matrix,
containsStretch = False): #ToDo: better name? containsStretch = False): #ToDo: better name?
om = matrix if isinstance(matrix, np.ndarray) else np.array(matrix) om = matrix if isinstance(matrix, np.ndarray) else np.array(matrix).reshape((3,3)) # ToDo: Reshape here or require explicit?
if containsStretch: if containsStretch:
(U,S,Vh) = np.linalg.svd(om) # singular value decomposition (U,S,Vh) = np.linalg.svd(om) # singular value decomposition
om = np.dot(U,Vh) om = np.dot(U,Vh)
@ -356,12 +356,12 @@ class Rotation:
P = -1): P = -1):
ro = rodrigues if isinstance(rodrigues, np.ndarray) else np.array(rodrigues) ro = rodrigues if isinstance(rodrigues, np.ndarray) else np.array(rodrigues)
if P > 0: ro[1:4] *= -1 # convert from P=1 to P=-1 if P > 0: ro[0:3] *= -1 # convert from P=1 to P=-1
if normalise: ro[1:4] /=np.linalg.norm(ro[1:4]) if normalise: ro[0:3] /=np.linalg.norm(ro[0:3])
if not np.isclose(np.linalg.norm(ro[1:4]), 1.0): if not np.isclose(np.linalg.norm(ro[0:3]), 1.0):
raise ValueError('Rodrigues rotation axis is not of unit length.\n{} {} {}'.format(*ro[1:4])) raise ValueError('Rodrigues rotation axis is not of unit length.\n{} {} {}'.format(*ro[0:3]))
if ro[0] < 0.0: if ro[3] < 0.0:
raise ValueError('Rodriques rotation angle not positive.\n'.format(ro[0])) raise ValueError('Rodriques rotation angle not positive.\n'.format(ro[3]))
return cls(ro2qu(ro)) return cls(ro2qu(ro))