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DAMASK_EICMD
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Merge branch 'vectorize_rotation' into misc-improvements

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Martin Diehl 2020-05-25 15:50:03 +02:00
parent 17aa3c00dc 3e2cbef780
commit dad7c7a2a0
8 changed files with 48 additions and 42 deletions
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2
PRIVATE

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Subproject commit 72d526e5750366a9efe4d1fd9d92e0d1ecd2cd38
Subproject commit 8dde2a68538b7cffbe9d370e2b60be90a31627ab

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VERSION
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@ -1 +1 @@
v2.0.3-2504-gcee9daff
v2.0.3-2514-g873b9fa8

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python/damask/__init__.py
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"""Main aggregator."""
"""Tools for pre and post processing of DAMASK simulations."""
import os as _os
import re as _re

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python/damask/_lattice.py
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@ -229,19 +229,20 @@ class Symmetry:
Return inverse pole figure color if requested.
Bases are computed from
basis = {'cubic' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
[1.,0.,1.]/np.sqrt(2.), # direction of green
[1.,1.,1.]/np.sqrt(3.)]).T), # direction of blue
'hexagonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
[1.,0.,0.], # direction of green
[np.sqrt(3.),1.,0.]/np.sqrt(4.)]).T), # direction of blue
'tetragonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
[1.,0.,0.], # direction of green
[1.,1.,0.]/np.sqrt(2.)]).T), # direction of blue
'orthorhombic' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
[1.,0.,0.], # direction of green
[0.,1.,0.]]).T), # direction of blue
}
>>> basis = {'cubic' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
... [1.,0.,1.]/np.sqrt(2.), # direction of green
... [1.,1.,1.]/np.sqrt(3.)]).T), # direction of blue
... 'hexagonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
... [1.,0.,0.], # direction of green
... [np.sqrt(3.),1.,0.]/np.sqrt(4.)]).T), # direction of blue
... 'tetragonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
... [1.,0.,0.], # direction of green
... [1.,1.,0.]/np.sqrt(2.)]).T), # direction of blue
... 'orthorhombic': np.linalg.inv(np.array([[0.,0.,1.], # direction of red
... [1.,0.,0.], # direction of green
... [0.,1.,0.]]).T), # direction of blue
... }
"""
if self.lattice == 'cubic':
basis = {'improper':np.array([ [-1. , 0. , 1. ],

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python/damask/_orientation.py
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@ -8,6 +8,7 @@ class Orientation:
Crystallographic orientation.
A crystallographic orientation contains a rotation and a lattice.
"""
__slots__ = ['rotation','lattice']
@ -49,8 +50,10 @@ class Orientation:
Disorientation between myself and given other orientation.
Rotation axis falls into SST if SST == True.
(Currently requires same symmetry for both orientations.
Look into A. Heinz and P. Neumann 1991 for cases with differing sym.)
Currently requires same symmetry for both orientations.
Look into A. Heinz and P. Neumann 1991 for cases with differing sym.
"""
if self.lattice.symmetry != other.lattice.symmetry:
raise NotImplementedError('disorientation between different symmetry classes not supported yet.')

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python/damask/_result.py
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@ -322,9 +322,10 @@ class Result:
Return groups that contain all requested datasets.
Only groups within
- inc?????/constituent/*_*/*
- inc?????/materialpoint/*_*/*
- inc?????/geometry/*
- inc*/constituent/*/*
- inc*/materialpoint/*/*
- inc*/geometry/*
are considered as they contain user-relevant data.
Single strings will be treated as list with one entry.

39
python/damask/_rotation.py
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@ -12,31 +12,32 @@ _R1 = (3.*np.pi/4.)**(1./3.)
class Rotation:
u"""
Orientation stored with functionality for conversion to different representations.
The following conventions apply:
- coordinate frames are right-handed.
- a rotation angle ω is taken to be positive for a counterclockwise rotation
when viewing from the end point of the rotation axis towards the origin.
- rotations will be interpreted in the passive sense.
- Euler angle triplets are implemented using the Bunge convention,
with the angular ranges as [0, 2π],[0, π],[0, 2π].
- the rotation angle ω is limited to the interval [0, π].
- the real part of a quaternion is positive, Re(q) > 0
- P = -1 (as default).
Examples
--------
Rotate vector "a" (defined in coordinate system "A") to
coordinates "b" expressed in system "B":
- b = Q @ a
- b = np.dot(Q.asMatrix(),a)
References
----------
D. Rowenhorst et al., Modelling and Simulation in Materials Science and Engineering 23:083501, 2015
https://doi.org/10.1088/0965-0393/23/8/083501
Conventions
-----------
Convention 1: Coordinate frames are right-handed.
Convention 2: A rotation angle ω is taken to be positive for a counterclockwise rotation
when viewing from the end point of the rotation axis towards the origin.
Convention 3: Rotations will be interpreted in the passive sense.
Convention 4: Euler angle triplets are implemented using the Bunge convention,
with the angular ranges as [0, 2π],[0, π],[0, 2π].
Convention 5: The rotation angle ω is limited to the interval [0, π].
Convention 6: the real part of a quaternion is positive, Re(q) > 0
Convention 7: P = -1 (as default).
Usage
-----
Vector "a" (defined in coordinate system "A") is passively rotated
resulting in new coordinates "b" when expressed in system "B".
b = Q @ a
b = np.dot(Q.as_matrix(),a)
"""
__slots__ = ['quaternion']

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python/damask/_vtk.py
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@ -120,9 +120,9 @@ class VTK:
Parameters
----------
fname : str
Filename for reading. Valid extensions are *.vtr, *.vtu, *.vtp, and *.vtk.
Filename for reading. Valid extensions are .vtr, .vtu, .vtp, and .vtk.
dataset_type : str, optional
Name of the vtk.vtkDataSet subclass when opening an *.vtk file. Valid types are vtkRectilinearGrid,
Name of the vtk.vtkDataSet subclass when opening an .vtk file. Valid types are vtkRectilinearGrid,
vtkUnstructuredGrid, and vtkPolyData.
"""