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DAMASK_EICMD
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improved names and layout

This commit is contained in:
Martin Diehl 2019-04-17 09:29:49 +02:00
parent c7c6627dfb
commit 8609eb6eb7
1 changed files with 66 additions and 63 deletions
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97
python/damask/orientation.py
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@ -112,6 +112,11 @@ class Rotation:
return self.__class__(other.quaternion*self.quaternion.conjugated())
def average(self,other):
"""Calculate the average rotation"""
return Rotation.fromAverage([self,other])
################################################################################################
# convert to different orientation representations (numpy arrays)
@ -262,7 +267,7 @@ class Rotation:
@classmethod
def average(cls,
def fromAverage(cls,
rotations,
weights = []):
"""
@ -272,6 +277,8 @@ class Rotation:
Averaging Quaternions,
Journal of Guidance, Control, and Dynamics, Vol. 30, No. 4 (2007), pp. 1193-1197.
doi: 10.2514/1.28949
usage: input a list of rotations and optional weights
"""
if not all(isinstance(item, Rotation) for item in rotations):
raise TypeError("Only instances of Rotation can be averaged.")
@ -339,12 +346,12 @@ class Symmetry:
[ 0.0, 1.0, 0.0, 0.0 ],
[ 0.0, 0.0, 1.0, 0.0 ],
[ 0.0, 0.0, 0.0, 1.0 ],
[ 0.0, 0.0, 0.5*math.sqrt(2), 0.5*math.sqrt(2) ],
[ 0.0, 0.0, 0.5*math.sqrt(2),-0.5*math.sqrt(2) ],
[ 0.0, 0.5*math.sqrt(2), 0.0, 0.5*math.sqrt(2) ],
[ 0.0, 0.5*math.sqrt(2), 0.0, -0.5*math.sqrt(2) ],
[ 0.0, 0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0 ],
[ 0.0, -0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0 ],
[ 0.0, 0.0, 0.5*np.sqrt(2), 0.5*np.sqrt(2) ],
[ 0.0, 0.0, 0.5*np.sqrt(2),-0.5*np.sqrt(2) ],
[ 0.0, 0.5*np.sqrt(2), 0.0, 0.5*np.sqrt(2) ],
[ 0.0, 0.5*np.sqrt(2), 0.0, -0.5*np.sqrt(2) ],
[ 0.0, 0.5*np.sqrt(2),-0.5*np.sqrt(2), 0.0 ],
[ 0.0, -0.5*np.sqrt(2),-0.5*np.sqrt(2), 0.0 ],
[ 0.5, 0.5, 0.5, 0.5 ],
[-0.5, 0.5, 0.5, 0.5 ],
[-0.5, 0.5, 0.5, -0.5 ],
@ -353,38 +360,38 @@ class Symmetry:
[-0.5, -0.5, 0.5, -0.5 ],
[-0.5, -0.5, -0.5, 0.5 ],
[-0.5, 0.5, -0.5, -0.5 ],
[-0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
[ 0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
[-0.5*math.sqrt(2), 0.0, 0.5*math.sqrt(2), 0.0 ],
[-0.5*math.sqrt(2), 0.0, -0.5*math.sqrt(2), 0.0 ],
[-0.5*math.sqrt(2), 0.5*math.sqrt(2), 0.0, 0.0 ],
[-0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0, 0.0 ],
[-0.5*np.sqrt(2), 0.0, 0.0, 0.5*np.sqrt(2) ],
[ 0.5*np.sqrt(2), 0.0, 0.0, 0.5*np.sqrt(2) ],
[-0.5*np.sqrt(2), 0.0, 0.5*np.sqrt(2), 0.0 ],
[-0.5*np.sqrt(2), 0.0, -0.5*np.sqrt(2), 0.0 ],
[-0.5*np.sqrt(2), 0.5*np.sqrt(2), 0.0, 0.0 ],
[-0.5*np.sqrt(2),-0.5*np.sqrt(2), 0.0, 0.0 ],
]
elif self.lattice == 'hexagonal':
symQuats = [
[ 1.0,0.0,0.0,0.0 ],
[-0.5*math.sqrt(3), 0.0, 0.0,-0.5 ],
[ 0.5, 0.0, 0.0, 0.5*math.sqrt(3) ],
[ 0.0,0.0,0.0,1.0 ],
[-0.5, 0.0, 0.0, 0.5*math.sqrt(3) ],
[-0.5*math.sqrt(3), 0.0, 0.0, 0.5 ],
[ 0.0,1.0,0.0,0.0 ],
[ 0.0,-0.5*math.sqrt(3), 0.5, 0.0 ],
[ 0.0, 0.5,-0.5*math.sqrt(3), 0.0 ],
[ 0.0,0.0,1.0,0.0 ],
[ 0.0,-0.5,-0.5*math.sqrt(3), 0.0 ],
[ 0.0, 0.5*math.sqrt(3), 0.5, 0.0 ],
[ 1.0, 0.0, 0.0, 0.0 ],
[-0.5*np.sqrt(3), 0.0, 0.0, -0.5 ],
[ 0.5, 0.0, 0.0, 0.5*np.sqrt(3) ],
[ 0.0, 0.0, 0.0, 1.0 ],
[-0.5, 0.0, 0.0, 0.5*np.sqrt(3) ],
[-0.5*np.sqrt(3), 0.0, 0.0, 0.5 ],
[ 0.0, 1.0, 0.0, 0.0 ],
[ 0.0, -0.5*np.sqrt(3), 0.5, 0.0 ],
[ 0.0, 0.5, -0.5*np.sqrt(3), 0.0 ],
[ 0.0, 0.0, 1.0, 0.0 ],
[ 0.0, -0.5, -0.5*np.sqrt(3), 0.0 ],
[ 0.0, 0.5*np.sqrt(3), 0.5, 0.0 ],
]
elif self.lattice == 'tetragonal':
symQuats = [
[ 1.0,0.0,0.0,0.0 ],
[ 0.0,1.0,0.0,0.0 ],
[ 0.0,0.0,1.0,0.0 ],
[ 0.0,0.0,0.0,1.0 ],
[ 0.0, 0.5*math.sqrt(2), 0.5*math.sqrt(2), 0.0 ],
[ 0.0,-0.5*math.sqrt(2), 0.5*math.sqrt(2), 0.0 ],
[ 0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
[-0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
[ 1.0, 0.0, 0.0, 0.0 ],
[ 0.0, 1.0, 0.0, 0.0 ],
[ 0.0, 0.0, 1.0, 0.0 ],
[ 0.0, 0.0, 0.0, 1.0 ],
[ 0.0, 0.5*np.sqrt(2), 0.5*np.sqrt(2), 0.0 ],
[ 0.0, -0.5*np.sqrt(2), 0.5*np.sqrt(2), 0.0 ],
[ 0.5*np.sqrt(2), 0.0, 0.0, 0.5*np.sqrt(2) ],
[-0.5*np.sqrt(2), 0.0, 0.0, 0.5*np.sqrt(2) ],
]
elif self.lattice == 'orthorhombic':
symQuats = [
@ -447,6 +454,8 @@ class Symmetry:
Acta Cryst. (1991). A47, 780-789
"""
R = rodrigues
if (len(R) != 3):
raise ValueError('Input is not a Rodriques-Frank vector.\n')
epsilon = 0.0
if self.lattice == 'cubic':
@ -967,21 +976,10 @@ class Orientation:
@classmethod
def average(cls,
def fromAverage(cls,
orientations,
weights = []):
"""
Average orientation
ref: F. Landis Markley, Yang Cheng, John Lucas Crassidis, and Yaakov Oshman.
Averaging Quaternions,
Journal of Guidance, Control, and Dynamics, Vol. 30, No. 4 (2007), pp. 1193-1197.
doi: 10.2514/1.28949
usage:
a = Orientation(Eulers=np.radians([10, 10, 0]), symmetry='hexagonal')
b = Orientation(Eulers=np.radians([20, 0, 0]), symmetry='hexagonal')
avg = Orientation.average([a,b])
"""
"""Create orientation from average of list of orientations"""
if not all(isinstance(item, Orientation) for item in orientations):
raise TypeError("Only instances of Orientation can be averaged.")
@ -993,7 +991,12 @@ class Orientation:
SST = False, # select (o[ther]'s) sym orientation
symmetries = True)[2]).rotation) # with lowest misorientation
return Orientation(Rotation.average(closest,weights),ref.lattice)
return Orientation(Rotation.fromAverage(closest,weights),ref.lattice)
def average(self,other):
"""Calculate the average rotation"""
return Orientation.fromAverage([self,other])
####################################################################################################