Merge branch 'Results.read-.place' into 'development'
simplified handling of Result class See merge request damask/DAMASK!363
This commit is contained in:
Philip Eisenlohr
commit
73b07eda4a
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@ -9,10 +9,11 @@
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*.hdf5 binary
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*.pdf binary
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*.dream3d binary
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*.pbz2 binary
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# ignore files from MSC.Marc in language statistics
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installation/mods_MarcMentat/20*/* linguist-vendored
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src/marc/include/* linguist-vendored
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src/Marc/include/* linguist-vendored
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# ignore reference files for tests in language statistics
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python/tests/reference/* linguist-vendored
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|
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2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit f1ac733d5eb90de1cdcaf79a261157c9034f8136
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Subproject commit 1298124143e7e2901d0b9c2e79ab6388cb78a1e3
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@ -1,5 +1,3 @@
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import os
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import numpy as np
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import h5py
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@ -159,18 +157,18 @@ class ConfigMaterial(Config):
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f = h5py.File(fname,'r')
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if grain_data is None:
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phase = f[os.path.join(b,c,phases)][()].flatten()
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O = Rotation.from_Euler_angles(f[os.path.join(b,c,Euler_angles)]).as_quaternion().reshape(-1,4) # noqa
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phase = f['/'.join([b,c,phases])][()].flatten()
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O = Rotation.from_Euler_angles(f['/'.join([b,c,Euler_angles])]).as_quaternion().reshape(-1,4) # noqa
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_,idx = np.unique(np.hstack([O,phase.reshape(-1,1)]),return_index=True,axis=0)
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idx = np.sort(idx)
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else:
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phase = f[os.path.join(b,grain_data,phases)][()]
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O = Rotation.from_Euler_angles(f[os.path.join(b,grain_data,Euler_angles)]).as_quaternion() # noqa
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phase = f['/'.join([b,grain_data,phases])][()]
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O = Rotation.from_Euler_angles(f['/'.join([b,grain_data,Euler_angles])]).as_quaternion() # noqa
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idx = np.arange(phase.size)
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if cell_ensemble_data is not None and phase_names is not None:
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try:
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names = np.array([s.decode() for s in f[os.path.join(b,cell_ensemble_data,phase_names)]])
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names = np.array([s.decode() for s in f['/'.join([b,cell_ensemble_data,phase_names])]])
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phase = names[phase]
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except KeyError:
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pass
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|
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@ -69,9 +69,9 @@ class Grid:
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copy = __copy__
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def diff(self,other):
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def __eq__(self,other):
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"""
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Report property differences of self relative to other.
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Test equality of other.
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Parameters
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----------
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@ -79,28 +79,10 @@ class Grid:
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Grid to compare self against.
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"""
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message = []
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if np.any(other.cells != self.cells):
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message.append(util.deemph(f'cells a b c: {util.srepr(other.cells," x ")}'))
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message.append(util.emph( f'cells a b c: {util.srepr( self.cells," x ")}'))
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if not np.allclose(other.size,self.size):
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message.append(util.deemph(f'size x y z: {util.srepr(other.size," x ")}'))
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message.append(util.emph( f'size x y z: {util.srepr( self.size," x ")}'))
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if not np.allclose(other.origin,self.origin):
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message.append(util.deemph(f'origin x y z: {util.srepr(other.origin," ")}'))
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message.append(util.emph( f'origin x y z: {util.srepr( self.origin," ")}'))
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if other.N_materials != self.N_materials:
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message.append(util.deemph(f'# materials: {other.N_materials}'))
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message.append(util.emph( f'# materials: { self.N_materials}'))
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if np.nanmax(other.material) != np.nanmax(self.material):
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message.append(util.deemph(f'max material: {np.nanmax(other.material)}'))
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message.append(util.emph( f'max material: {np.nanmax( self.material)}'))
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return util.return_message(message)
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return (np.allclose(other.size,self.size)
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and np.allclose(other.origin,self.origin)
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and np.all(other.cells == self.cells)
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and np.all(other.material == self.material))
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@property
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@ -270,7 +252,7 @@ class Grid:
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"""
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Load DREAM.3D (HDF5) file.
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Data in DREAM.3D files can be stored per cell ('CellData') and/or
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Data in DREAM.3D files can be stored per cell ('CellData') and/or
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per grain ('Grain Data'). Per default, cell-wise data is assumed.
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damask.ConfigMaterial.load_DREAM3D gives the corresponding material definition.
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@ -305,18 +287,18 @@ class Grid:
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c = util.DREAM3D_cell_data_group(fname) if cell_data is None else cell_data
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f = h5py.File(fname, 'r')
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cells = f[os.path.join(b,'_SIMPL_GEOMETRY','DIMENSIONS')][()]
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size = f[os.path.join(b,'_SIMPL_GEOMETRY','SPACING')] * cells
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origin = f[os.path.join(b,'_SIMPL_GEOMETRY','ORIGIN')][()]
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cells = f['/'.join([b,'_SIMPL_GEOMETRY','DIMENSIONS'])][()]
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size = f['/'.join([b,'_SIMPL_GEOMETRY','SPACING'])] * cells
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origin = f['/'.join([b,'_SIMPL_GEOMETRY','ORIGIN'])][()]
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|
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if feature_IDs is None:
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phase = f[os.path.join(b,c,phases)][()].reshape(-1,1)
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O = Rotation.from_Euler_angles(f[os.path.join(b,c,Euler_angles)]).as_quaternion().reshape(-1,4) # noqa
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phase = f['/'.join([b,c,phases])][()].reshape(-1,1)
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O = Rotation.from_Euler_angles(f['/'.join([b,c,Euler_angles])]).as_quaternion().reshape(-1,4) # noqa
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unique,unique_inverse = np.unique(np.hstack([O,phase]),return_inverse=True,axis=0)
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ma = np.arange(cells.prod()) if len(unique) == cells.prod() else \
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np.arange(unique.size)[np.argsort(pd.unique(unique_inverse))][unique_inverse]
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else:
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ma = f[os.path.join(b,c,feature_IDs)][()].flatten()
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ma = f['/'.join([b,c,feature_IDs])][()].flatten()
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return Grid(ma.reshape(cells,order='F'),size,origin,util.execution_stamp('Grid','load_DREAM3D'))
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|
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File diff suppressed because it is too large
Load Diff
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@ -230,7 +230,6 @@ class Table:
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f = fname
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f.seek(0)
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|
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f.seek(0)
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comments = []
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line = f.readline().strip()
|
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while line.startswith('#'):
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|
|
@ -515,7 +514,7 @@ class Table:
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|||
|
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"""
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if set(self.shapes) & set(other.shapes) or self.data.shape[0] != other.data.shape[0]:
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raise KeyError('Dublicated keys or row count mismatch')
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raise KeyError('Duplicated keys or row count mismatch')
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else:
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dup = self.copy()
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dup.data = dup.data.join(other.data)
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|
|
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|
|
@ -2,8 +2,8 @@ import os
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import multiprocessing as mp
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from pathlib import Path
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import pandas as pd
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import numpy as np
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import numpy.ma as ma
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import vtk
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from vtk.util.numpy_support import numpy_to_vtk as np_to_vtk
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from vtk.util.numpy_support import numpy_to_vtkIdTypeArray as np_to_vtkIdTypeArray
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@ -224,14 +224,14 @@ class VTK:
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|
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# Check https://blog.kitware.com/ghost-and-blanking-visibility-changes/ for missing data
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# Needs support for pd.DataFrame and/or table
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# Needs support for damask.Table
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def add(self,data,label=None):
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"""
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Add data to either cells or points.
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Parameters
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----------
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data : numpy.ndarray
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data : numpy.ndarray or numpy.ma.MaskedArray
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Data to add. First dimension needs to match either
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number of cells or number of points.
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label : str
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@ -246,8 +246,10 @@ class VTK:
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raise ValueError('No label defined for numpy.ndarray')
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N_data = data.shape[0]
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d = np_to_vtk((data.astype(np.single) if data.dtype in [np.double, np.longdouble] else
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data).reshape(N_data,-1),deep=True) # avoid large files
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data_ = np.where(data.mask,data.fill_value,data) if isinstance(data,ma.MaskedArray) else\
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data
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d = np_to_vtk((data_.astype(np.single) if data_.dtype in [np.double, np.longdouble] else
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data_).reshape(N_data,-1),deep=True) # avoid large files
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d.SetName(label)
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if N_data == N_points:
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@ -256,8 +258,6 @@ class VTK:
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self.vtk_data.GetCellData().AddArray(d)
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else:
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raise ValueError(f'Cell / point count ({N_cells} / {N_points}) differs from data ({N_data}).')
|
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elif isinstance(data,pd.DataFrame):
|
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raise NotImplementedError('pd.DataFrame')
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elif isinstance(data,Table):
|
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raise NotImplementedError('damask.Table')
|
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else:
|
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|
|
|
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|
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@ -17,15 +17,16 @@ __all__=[
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|||
'srepr',
|
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'emph','deemph','warn','strikeout',
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'execute',
|
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'natural_sort',
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'show_progress',
|
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'scale_to_coprime',
|
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'project_stereographic',
|
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'hybrid_IA',
|
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'return_message',
|
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'execution_stamp',
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'shapeshifter', 'shapeblender',
|
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'extend_docstring', 'extended_docstring',
|
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'DREAM3D_base_group', 'DREAM3D_cell_data_group'
|
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'DREAM3D_base_group', 'DREAM3D_cell_data_group',
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'dict_prune', 'dict_flatten'
|
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]
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|
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# https://svn.blender.org/svnroot/bf-blender/trunk/blender/build_files/scons/tools/bcolors.py
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|
|
@ -58,11 +59,12 @@ def srepr(arg,glue = '\n'):
|
|||
Glue used for joining operation. Defaults to \n.
|
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|
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"""
|
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if (not hasattr(arg, "strip") and
|
||||
(hasattr(arg, "__getitem__") or
|
||||
hasattr(arg, "__iter__"))):
|
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if (not hasattr(arg, 'strip') and
|
||||
(hasattr(arg, '__getitem__') or
|
||||
hasattr(arg, '__iter__'))):
|
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return glue.join(str(x) for x in arg)
|
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return arg if isinstance(arg,str) else repr(arg)
|
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else:
|
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return arg if isinstance(arg,str) else repr(arg)
|
||||
|
||||
|
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def emph(what):
|
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|
|
@ -112,6 +114,11 @@ def execute(cmd,wd='./',env=None):
|
|||
return process.stdout, process.stderr
|
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|
||||
|
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def natural_sort(key):
|
||||
convert = lambda text: int(text) if text.isdigit() else text
|
||||
return [ convert(c) for c in re.split('([0-9]+)', key) ]
|
||||
|
||||
|
||||
def show_progress(iterable,N_iter=None,prefix='',bar_length=50):
|
||||
"""
|
||||
Decorate a loop with a status bar.
|
||||
|
|
@ -130,11 +137,15 @@ def show_progress(iterable,N_iter=None,prefix='',bar_length=50):
|
|||
Character length of bar. Defaults to 50.
|
||||
|
||||
"""
|
||||
status = _ProgressBar(N_iter if N_iter else len(iterable),prefix,bar_length)
|
||||
if N_iter == 1 or (hasattr(iterable,'__len__') and len(iterable) == 1):
|
||||
for item in iterable:
|
||||
yield item
|
||||
else:
|
||||
status = _ProgressBar(N_iter if N_iter is not None else len(iterable),prefix,bar_length)
|
||||
|
||||
for i,item in enumerate(iterable):
|
||||
yield item
|
||||
status.update(i)
|
||||
for i,item in enumerate(iterable):
|
||||
yield item
|
||||
status.update(i)
|
||||
|
||||
|
||||
def scale_to_coprime(v):
|
||||
|
|
@ -388,7 +399,7 @@ def DREAM3D_cell_data_group(fname):
|
|||
"""
|
||||
base_group = DREAM3D_base_group(fname)
|
||||
with h5py.File(fname,'r') as f:
|
||||
cells = tuple(f[os.path.join(base_group,'_SIMPL_GEOMETRY','DIMENSIONS')][()][::-1])
|
||||
cells = tuple(f['/'.join([base_group,'_SIMPL_GEOMETRY','DIMENSIONS'])][()][::-1])
|
||||
cell_data_group = f[base_group].visititems(lambda path,obj: path.split('/')[0] \
|
||||
if isinstance(obj,h5py._hl.dataset.Dataset) and np.shape(obj)[:-1] == cells \
|
||||
else None)
|
||||
|
|
@ -399,29 +410,59 @@ def DREAM3D_cell_data_group(fname):
|
|||
return cell_data_group
|
||||
|
||||
|
||||
def dict_prune(d):
|
||||
"""
|
||||
Recursively remove empty dictionaries.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
d : dict
|
||||
Dictionary to prune.
|
||||
|
||||
Returns
|
||||
-------
|
||||
pruned : dict
|
||||
Pruned dictionary.
|
||||
|
||||
"""
|
||||
# https://stackoverflow.com/questions/48151953
|
||||
new = {}
|
||||
for k,v in d.items():
|
||||
if isinstance(v, dict):
|
||||
v = dict_prune(v)
|
||||
if not isinstance(v,dict) or v != {}:
|
||||
new[k] = v
|
||||
return new
|
||||
|
||||
|
||||
def dict_flatten(d):
|
||||
"""
|
||||
Recursively remove keys of single-entry dictionaries.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
d : dict
|
||||
Dictionary to flatten.
|
||||
|
||||
Returns
|
||||
-------
|
||||
flattened : dict
|
||||
Flattened dictionary.
|
||||
|
||||
"""
|
||||
if isinstance(d,dict) and len(d) == 1:
|
||||
entry = d[list(d.keys())[0]]
|
||||
new = dict_flatten(entry.copy()) if isinstance(entry,dict) else entry
|
||||
else:
|
||||
new = {k: (dict_flatten(v) if isinstance(v, dict) else v) for k,v in d.items()}
|
||||
|
||||
return new
|
||||
|
||||
|
||||
|
||||
####################################################################################################
|
||||
# Classes
|
||||
####################################################################################################
|
||||
class return_message:
|
||||
"""Object with formatted return message."""
|
||||
|
||||
def __init__(self,message):
|
||||
"""
|
||||
Set return message.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
message : str or list of str
|
||||
message for output to screen
|
||||
|
||||
"""
|
||||
self.message = message
|
||||
|
||||
def __repr__(self):
|
||||
"""Return message suitable for interactive shells."""
|
||||
return srepr(self.message)
|
||||
|
||||
|
||||
class _ProgressBar:
|
||||
"""
|
||||
Report progress of an interation as a status bar.
|
||||
|
|
|
|||
|
|
@ -0,0 +1,678 @@
|
|||
material:
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.44698096036898677, -0.035696623617731814, 0.050331402131209624, -0.8924127532086364]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.6226205515354057, 0.4257792272120092, -0.6365250917893261, 0.16090837766592916]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.4319357791504236, 0.5804552577310466, 0.4870786336250474, 0.48913963356904305]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.6712122425649047, -0.5315470950319967, 0.11982471915778993, -0.5025672570639611]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.03979536866120591, -0.01919843067074171, -0.5618628311727827, 0.8260495795286167]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.6951890945163803, -0.46325436790720337, 0.03393768848173515, -0.5485943371753935]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3489469292795834, -0.5959323325634578, -0.6067706771532161, 0.3936115355256417]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.39500485674202723, -0.07573446369604235, -0.015761384830863343, -0.9154163167144754]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: B
|
||||
O: [0.9221278604171202, 0.32701451341562027, 0.15952215192749652, -0.1315081750406033]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.8117843306311869, 0.4102779561929707, -0.18584663447455768, 0.37167085930736465]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.6548302235705483, 0.6510678661349768, -0.3832730015357094, 0.02024396894884073]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.04255709858343937, -0.3005730931619659, -0.3060125731417352, -0.9023308783957146]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.6960740097259569, 0.16329320418261428, 0.6991228405747408, 0.006599715032396515]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.48818278044780217, -0.664294296073913, 0.2679908412891581, 0.4985695238008905]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.545426202615872, 0.179298582176746, -0.7847831868864313, -0.23340442478628137]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.8566603715426528, 0.26967937521434965, -0.03159131558814077, 0.43864339866435076]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: C
|
||||
O: [0.140304599816322, -0.017971728003341014, -0.9895572782263894, 0.027713342853867628]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.8096406385129331, 0.2395956967578664, -0.25531574170054405, -0.47105181307727034]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.15570676199790476, -0.7501738841096782, 0.2328253832435299, -0.5989882209070811]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.4595649941522109, 0.3331746723324176, 0.23957383093695328, 0.7876541331042811]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.2969510261483044, 0.0027640644222379847, -0.8133130954773664, 0.5003341450894221]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.114170281047612, -0.9068850613039258, 0.3701597984948465, -0.16585040273553361]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.29658840046433166, -0.5331902828876833, 0.7365409179409275, 0.2919776004129383]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.931315147629592, -0.2017743466108175, 0.30303719188324046, 0.010376376100021569]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.20901169650798976, 0.5778057521557359, -0.3628020593274987, 0.7005920990464581]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.6025573623737024, 0.7345291803280383, 0.3086529661391562, 0.04609614722911203]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.6402291970447783, -0.5402560454335561, -0.5285008279381848, -0.13753856002062462]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.12506307996119548, 0.5336909245447153, 0.8344001590799459, 0.05752910234470594]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.5504712846116686, -0.6241210958640075, 0.42061504390637533, 0.3612993320712448]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.3135636745691277, 0.6574027353927014, 0.6044800436379738, -0.32265049563317466]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.1619452502554878, -0.4269267792831907, -0.8080415555188633, 0.3722581169097929]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.17044595054343245, 0.8646695166660998, -0.30004868613437863, -0.365055599656809]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: B
|
||||
O: [0.43255174377606787, 0.2026672781261794, 0.35000490906160386, 0.8058048938583007]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.19591912697365416, -0.8181375036268687, 0.3260880890153691, -0.4311998133665892]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.1373248436058589, -0.43524771427953446, -0.8885320171891298, -0.047033700395389226]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.250519065956112, -0.7636612069861932, 0.5672425862778043, -0.17971534951065127]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.600521695167639, -0.2273230963128902, 0.7563911883237204, -0.12478090295368073]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.4281846857945264, 0.5284504248063085, 0.21428541450090705, 0.7010561921167584]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.34007599923699156, 0.5500172687924186, 0.6138467460818403, -0.45279298923219496]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8581382626679844, -0.20034169756111123, 0.3134907520728513, -0.35381559424127107]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: C
|
||||
O: [0.18637512817696594, 0.9354389080016575, 0.2967480269088709, -0.04646471262558266]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.33425800495572805, 0.24948308477875414, 0.7297193930640264, 0.5417927499686225]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.11918214701666907, -0.4185869380028542, 0.618905484805619, -0.6538628235673086]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.40732205687168244, -0.6166051531766635, -0.6737097202702335, -0.0014282419993970551]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.68397144415648, 0.6848389352552103, 0.24111983008651763, 0.07099242125789083]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.05719438496521803, 0.2575447319897859, 0.5020591650211859, -0.8236116245968056]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.10565206937493385, -0.1109750475948143, 0.8781814355546643, 0.45312199824690885]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.22821192086563635, -0.9595048060506683, -0.07745760541549483, -0.1458429487626446]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.5745354940858776, 0.6366614824775295, 0.3307586622977252, -0.39391601907009377]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.3505113084912295, -0.6046500894621007, 0.6274019946374426, -0.34337563841687757]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.030949493058962222, 0.4416700940450431, 0.8819578143863066, 0.16161704906526728]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.13563849174261922, 0.2687388407244776, 0.809782239640578, -0.5036212459840637]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.2305505587522992, -0.6837828098041563, 0.3813348695443346, 0.577815910255975]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.10699977862890839, 0.8478562366641894, 0.26664808851893185, -0.4456339823355066]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.9203073703838264, 0.35592932457392046, 0.15147737103605818, -0.058337517855697775]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.8544895693446002, 0.43485422381677186, -0.2696115267291114, 0.08977195867747481]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.22196756947117874, 0.940293527559, -0.2573416285961528, -0.018808676859083388]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.28669138183611736, -0.5847463393505065, 0.6896415010701208, 0.3166612862331461]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.18214681844078473, 0.07037956730772883, 0.6195004937983107, -0.7603212421214639]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5744613003376511, 0.17468957401795682, -0.7944671360487727, 0.09110289173380101]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.4329446256398051, -0.7351014072423584, 0.5116672951703971, -0.10188940697110307]
|
||||
v: 0.125
|
||||
- phase: C
|
||||
O: [0.2946245183318559, -0.8241105780568372, 0.40376354741611825, -0.2664829189845001]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.22212591383189398, -0.06959072743195248, -0.8166434230649855, -0.5281199945320578]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.038576201076459135, 0.9876698316278196, 0.06851090552108202, -0.13537516843004982]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: C
|
||||
O: [0.004892880719601024, -0.02167422880443418, 0.3339942463386166, 0.9423131809205983]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3719521264362446, -0.4055315244649798, -0.39177426332273346, 0.7373660725193388]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.010947854228877327, 0.16142752376310676, -0.19859031041582603, -0.9666349816080735]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.9101129345691923, -0.17592965401443023, -0.30944622338368544, 0.21209959453471436]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5280075626141939, -0.4828698476824812, -0.1580687189774305, 0.6804843893155447]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8213575048478461, 0.18229514326534527, -0.35486977770450967, -0.4076858727549186]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.16635046542653203, -0.8410358537737095, -0.47641083611371204, 0.19498443669415633]
|
||||
v: 0.125
|
||||
- phase: B
|
||||
O: [0.5406080589325533, 0.5405688205487984, -0.4980750162732086, -0.4092060056158767]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.41778322805525603, 0.23584193505422144, 0.8768801833720732, -0.03028035724639885]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8727428843707065, 0.0764211249039828, 0.3927224252414984, -0.2797298092108618]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8766166377340643, -0.2644877070285106, 0.022928146762306964, -0.40132757613285325]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.6643649540361558, -0.04353445577200276, -0.2630693201131682, -0.6982252443333509]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.43011162904952843, -0.7133156350005553, 0.22368449997894274, -0.5061126711408104]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.42119993016818996, -0.2666762728079305, 0.7798784815692744, 0.37850223028772895]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.17194138099812353, 0.48707029434265314, 0.28918455812138427, -0.8059596647559721]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.7411029340880614, -0.6424443807902435, 0.06269338980849715, 0.18466509565000905]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.2238963963710994, -0.0650586111271435, -0.4249089470195672, -0.8746943280672199]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.11834025356863993, -0.8856449810417544, 0.417012782917471, 0.16651994122112387]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.11716309944373668, 0.0038756181092136927, -0.7000966032560261, -0.7043596622623864]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.45702665319142677, -0.16783958203387148, -0.15365667123574342, 0.8598523945190182]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5197700015250588, 0.41758011415389684, -0.06820554688133636, 0.7421684425738383]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.675852597832269, -0.5552996378928718, 0.4213174293100185, 0.23949363648960756]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5936583232008587, 0.6945289973655595, -0.40553899121228437, -0.027154994370431035]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.1865986177378815, 0.3352356341235895, 0.35399611880081633, -0.8529271793922534]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.04264635665959766, -0.25662858077651657, 0.9118921459098731, -0.3174520027030545]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8821155978581948, 0.3761807268996467, 0.1631361963837017, 0.23183337584133834]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.162154410316598, -0.8783087060961443, 0.0990284993753847, -0.4387175860642615]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5420568096555354, 0.5088379086577298, 0.34515629818391275, -0.572822422433749]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.4535105167294993, -0.351824950997862, 0.5869707747562448, -0.5709752399650516]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8098666527705685, 0.36698878904202453, -0.4428476393801139, 0.11541751055678014]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.2576165318782538, 0.537377864604212, -0.6660199792713344, 0.44863809506978913]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.665871020774723, -0.24779933206030424, -0.6964987066828571, 0.10050286718299539]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.5998961636312351, -0.5496518322385892, 0.10155928244475286, 0.5724449041843198]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.7039639404137236, 0.03679879173607231, 0.58207433274894, 0.4053024681380869]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.40054268633071116, 0.37951399049616763, 0.5867236594596857, -0.5926972539795397]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.9355573844663049, 0.24834752099784146, 0.19019564545030732, 0.16395580391231754]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.7776851244299001, 0.5132289287723679, -0.3500697782737797, 0.0961928492714775]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.14184146561701433, -0.12106060201428649, 0.06736696083733706, 0.9801464287845448]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.35378845612452303, 0.6454299208817863, -0.6758747727133072, 0.03804257027716481]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5450137677982273, -0.6067354536251314, -0.5773779505037945, 0.03829862264786783]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.8960165930555501, 0.24799888375444512, -0.3529216677489853, 0.10534284531447227]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.018356029815615817, -0.2889337455527527, 0.9520448827103584, 0.09894891689798985]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.853080700130541, -0.3850382673796441, 0.3507108308253732, 0.03163486778610022]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3115000788768896, -0.36279737244767013, 0.6484519555216468, -0.5923308440263011]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.44453200197416054, 0.5366087739174971, -0.4155131463908387, -0.5846290688564767]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.6294708415113138, -0.5730458394479108, 0.3971797612768184, -0.34297691294104227]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.7012827551365688, -0.6926674077585473, -0.1570646347205316, -0.06119689614043776]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.344127722728084, -0.02877253391263471, -0.12761292039202274, 0.9297651285627186]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.6978484686818835, 0.22305447962726752, 0.026182556001199425, -0.6801240237175888]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.9628977633574072, 0.16069766981498335, 0.2167078702347067, -0.006469560701840579]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5032342094162214, -0.32097872787787546, 0.8022984104181043, -0.006726616067118365]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8004358150893949, 0.0875805156227694, -0.3568768378095974, -0.47357267851983204]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5880748138588325, 0.45495016865260346, 0.5556078663040557, -0.37214010298397254]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.0242946564098417, 0.6005127022483121, 0.7620365834257689, -0.24102802664656872]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.34550850696510604, 0.7299878005482168, -0.29949045445085315, -0.5079834154363129]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.10265979489126274, 0.34339772969920185, 0.0799881993576351, 0.9301294822302113]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.5849010547063512, -0.46890126598541493, -0.141130615667434, -0.6466100125129551]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3232591731614976, -0.2858051445366468, 0.8855713416105193, -0.17199513144701628]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.7530648506011821, -0.3316323026169325, -0.30797159948874325, -0.477563441396382]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5841938587340145, -0.5195581188838846, 0.45610755437383976, 0.4251385601923404]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5699287377636442, -0.7161652717835199, -0.40080048103879345, -0.04058955236816678]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.05536551119448681, -0.40478746018638956, -0.6031583160532334, -0.6850414717532457]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.2227977302479141, -0.48882932798587353, -0.15904170725500447, -0.8283192590122909]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.05275211816268626, -0.223660120175789, 0.6943402501868806, 0.6819713935662708]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.7102673449281939, 0.43290229875199215, 0.4268837400347354, 0.35480441225815024]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.2541648349387051, 0.3725842249682419, -0.13402399303768983, -0.8823937903655196]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.4091596391203177, 0.10748924891263324, 0.2807193957630742, -0.8615283349522196]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.16364908456142396, -0.9217193970202214, 0.11860582627366922, 0.33103623404821947]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.80868984786943, -0.5530964468638372, 0.18400280484186798, -0.07904440669549186]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.785539568992473, -0.42139749663876175, 0.03451711851851934, 0.45184101618034067]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.07920711616878613, -0.6177377682037178, -0.7622215143727179, 0.1764784562213612]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.6079704911212058, -0.06435941038671157, 0.3854845277687917, 0.6911088388028229]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.6650964387751211, -0.34961073112696767, -0.4316460762174112, -0.4990999185490129]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.1643442326674122, 0.21205555067771598, 0.18237328729946675, -0.9459193415378059]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5079103592861302, -0.4522879915621313, 0.7008603696203147, 0.21507529359320504]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.4588629674996609, 0.7103482146539822, -0.14094577428597305, -0.5147664321867083]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.044305288641285946, -0.3875768281048735, -0.7143901476515312, -0.5809199261972351]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8455643302581954, -0.4342346154649184, -0.29235576797838947, -0.10483018199359342]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5790795198800359, 0.5645942182636775, -0.26425181035873874, 0.5254248367567554]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.6475654656469717, 0.04725837905512413, 0.4718561325845725, -0.5964707901086468]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.9334013387182871, -0.3485154208652402, -0.04006434439320742, 0.07545721043330728]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.38741862953083567, -0.9054265066714982, 0.12281627778824236, 0.12257980428821813]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8578234268453049, 0.25286192172706, 0.21735917871049656, -0.3910943675459601]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.4841852989554279, -0.5324884938481191, 0.6128392956763806, -0.32626461326610684]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.24479559088002964, -0.39790158622306016, -0.6885075670842895, 0.5547132380199182]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.006342119419357721, 0.8016474931043842, -0.09875135732320732, 0.589550034982232]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5815233878895042, -0.41292157227416415, -0.6523344380499, -0.2564880219859532]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.08441325811399321, -0.9287379499833768, -0.04047714959468877, 0.3587224867163255]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.9272909114072972, 0.22505658735105372, -0.12087397257258231, 0.27362489080097285]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.22477798467053944, -0.16730490431874273, 0.7619888558500476, 0.5838295214860949]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.6944164222400087, -0.3089622138004769, 0.47430811205294454, -0.44425217816873547]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.9319464859005648, -0.33314612927635295, 0.09454266632036588, 0.10747598899664906]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.7631364561921935, 0.6348137033139695, -0.07779160762534851, 0.09264327875398014]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.30213352773158436, 0.7607414448583625, -0.5489414690920735, -0.1692662075144206]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.44393342791682283, -0.20509632166957376, 0.6929260547202925, 0.529822699688679]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5553300723266665, 0.8100017529476545, -0.18277171291698383, 0.045827633026130514]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.3369089353527777, 0.11156804371056815, -0.8851691518465128, -0.30086627182417736]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.1904884889827469, -0.2955994647758964, -0.5609071888421532, 0.7494786304455029]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.14357497570029057, -0.8835693969815234, -0.07717841484904021, -0.4390157620766682]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.2844319189561915, -0.26616939939342976, -0.09666838434612286, 0.9159189689996324]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3986740568181236, -0.009203742364828175, 0.3059441820684439, 0.8645070531841439]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.6689177202684424, -0.4911686233022882, 0.011604901743798118, -0.5578241597938561]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.24260666144446064, -0.7362708394584294, 0.555535585659367, 0.3007116091075576]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8264968442974631, 0.08346800006449286, -0.5223744566842243, 0.19251230177687406]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.5964950823065459, -0.03914167887903209, -0.764986315653944, 0.23970290490697482]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8080255887350464, 0.369717513486498, 0.4541656797460721, 0.06432063052809132]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.9384315445539018, 0.21987525747326847, 0.26439717033746396, 0.033094465621676714]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3398146205195601, 0.19417091506154938, 0.7316894460339152, 0.5580808489707294]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3246633791904426, 0.47411988229633434, 0.8166638950637336, 0.05351737963768399]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3795740054462351, -0.8471170612518093, 0.01606588144238899, 0.37156176657331014]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3324564774831089, 0.5840719896629913, 0.33174639891221797, 0.6620248698345199]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.5142455012854315, 0.2115524033587584, -0.25751707686577474, -0.7902417985422785]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.5917389153130538, 0.014487837662305996, 0.1546249763526937, -0.7910286185416618]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.13783983489759696, 0.19317471156196087, 0.9651184311351051, -0.11058989380440512]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.8586698401906224, 0.4868991116453938, -0.04218722674591906, 0.15438781857849304]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.9890970857322728, 0.05214494425397627, -0.1362936500688951, -0.019796482909146578]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.9020138640071081, 0.25707037984798153, 0.30534577613336306, -0.16446813047303388]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3175523590958934, -0.563302190026314, -0.6464135983869942, -0.40496987760149405]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.752248294923397, -0.30191235437425856, 0.44098110520789696, -0.3853661867764942]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.07541991372724928, 0.21981465995106916, -0.8076581447316371, 0.5419240473835979]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
- constituents:
|
||||
- phase: A
|
||||
O: [0.3735354245257942, -0.19362809638145217, 0.7860424876438061, 0.45289806196843757]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.0320727653734856, -0.8866094001869422, 0.46133859224884993, 0.007862094078374177]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.4437387774582536, 0.2752317472571834, 0.5589728539449029, -0.6441216742466462]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.4189270336917096, -0.7997419507282093, 0.08375652034255085, 0.4217793238031132]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.07774372790271536, 0.8494512032072281, -0.23549059135564554, 0.4657603971191082]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.7403304241587872, 0.5263542470691401, -0.1337642666383515, -0.39619337529526266]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.3862324493674717, -0.7790044035666689, 0.2926767318730596, 0.39789064439798927]
|
||||
v: 0.125
|
||||
- phase: A
|
||||
O: [0.12717246708576896, 0.2790094483039878, 0.8667779585068207, -0.39328979394229346]
|
||||
v: 0.125
|
||||
homogenization: RGC
|
||||
|
||||
homogenization:
|
||||
RGC:
|
||||
N_constituents: 8
|
||||
mechanical:
|
||||
type: RGC
|
||||
D_alpha: [4.0e-06, 4.0e-06, 2.0e-06]
|
||||
a_g: [0.0, 0.0, 0.0]
|
||||
c_alpha: 2.0
|
||||
cluster_size: [2, 2, 2]
|
||||
output: [M, Delta_V, avg_a_dot, max_a_dot]
|
||||
xi_alpha: 10.0
|
||||
|
||||
phase:
|
||||
A:
|
||||
lattice: cF
|
||||
mechanical:
|
||||
output: [F, F_e, F_p, L_p]
|
||||
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
|
||||
plastic:
|
||||
N_sl: [12]
|
||||
a_sl: 2.25
|
||||
atol_xi: 1.0
|
||||
dot_gamma_0_sl: 0.001
|
||||
h_0_sl_sl: 75e6
|
||||
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
||||
n_sl: 20
|
||||
output: [xi_sl]
|
||||
type: phenopowerlaw
|
||||
xi_0_sl: [31e6]
|
||||
xi_inf_sl: [63e6]
|
||||
B:
|
||||
lattice: cI
|
||||
mechanical:
|
||||
output: [F, P, F_e, F_p, L_p, O]
|
||||
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
|
||||
plastic:
|
||||
N_sl: [12]
|
||||
a_sl: 2.25
|
||||
atol_xi: 1.0
|
||||
dot_gamma_0_sl: 0.001
|
||||
h_0_sl_sl: 75e6
|
||||
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
||||
n_sl: 20
|
||||
output: [xi_sl]
|
||||
type: phenopowerlaw
|
||||
xi_0_sl: [31e6]
|
||||
xi_inf_sl: [63e6]
|
||||
C:
|
||||
lattice: cI
|
||||
mechanical:
|
||||
output: [F]
|
||||
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
|
||||
|
|
@ -0,0 +1,30 @@
|
|||
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|
||||
AQAAAACAAAAoAAAAFwAAAA==eF5jYEAGF+wh9AMo/QJKf7AHADzEBIU=
|
||||
</DataArray>
|
||||
<DataArray type="Float64" Name="z" format="binary" RangeMin="0" RangeMax="1">
|
||||
AQAAAACAAAAgAAAAGAAAAA==eF5jYICAUDC4ag+hn9pDRD/YAwBmSwdk
|
||||
</DataArray>
|
||||
</Coordinates>
|
||||
</Piece>
|
||||
</RectilinearGrid>
|
||||
</VTKFile>
|
||||
Binary file not shown.
|
|
@ -0,0 +1,17 @@
|
|||
---
|
||||
solver:
|
||||
mechanical: spectral_basic
|
||||
|
||||
loadstep:
|
||||
- boundary_conditions:
|
||||
mechanical:
|
||||
dot_F: [x, 0, 0,
|
||||
0, -1.0e-3, 0,
|
||||
0, 0, x]
|
||||
P: [0, x, x,
|
||||
x, x, x,
|
||||
x, x, 0]
|
||||
discretization:
|
||||
t: 5
|
||||
N: 10
|
||||
f_out: 2
|
||||
Binary file not shown.
Binary file not shown.
Binary file not shown.
Binary file not shown.
Binary file not shown.
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Binary file not shown.
Binary file not shown.
|
|
@ -0,0 +1 @@
|
|||
3b83384def67552ab7dd211efc0d54fd
|
||||
|
|
@ -0,0 +1 @@
|
|||
c32c86ed50dbb39a93ca2a2ebe47d9cb
|
||||
|
|
@ -0,0 +1 @@
|
|||
ead4f6fcaff174fddc041d701e54ac60
|
||||
|
|
@ -0,0 +1 @@
|
|||
bde8b728110c2c05a6a4740f7c5f9c06
|
||||
|
|
@ -0,0 +1 @@
|
|||
e09bfa9248283fc390003ad28d15d36e
|
||||
|
|
@ -0,0 +1 @@
|
|||
3f21254164f96de8ee4a28249ae72cc6
|
||||
|
|
@ -136,9 +136,9 @@ class TestConfigMaterial:
|
|||
|
||||
def test_load_DREAM3D_reference(self,tmp_path,ref_path,update):
|
||||
cur = ConfigMaterial.load_DREAM3D(ref_path/'measured.dream3d')
|
||||
ref = ConfigMaterial.load(ref_path/'measured.material_yaml')
|
||||
ref = ConfigMaterial.load(ref_path/'measured.material.yaml')
|
||||
if update:
|
||||
cur.save(ref_path/'measured.material_yaml')
|
||||
cur.save(ref_path/'measured.material.yaml')
|
||||
for i,m in enumerate(ref['material']):
|
||||
assert Rotation(m['constituents'][0]['O']) == \
|
||||
Rotation(cur['material'][i]['constituents'][0]['O'])
|
||||
|
|
|
|||
|
|
@ -14,8 +14,7 @@ from damask import grid_filters
|
|||
def grid_equal(a,b):
|
||||
return np.all(a.material == b.material) and \
|
||||
np.all(a.cells == b.cells) and \
|
||||
np.allclose(a.size, b.size) and \
|
||||
str(a.diff(b)) == str(b.diff(a))
|
||||
np.allclose(a.size, b.size)
|
||||
|
||||
@pytest.fixture
|
||||
def default():
|
||||
|
|
@ -42,13 +41,9 @@ class TestGrid:
|
|||
def _patch_datetime_now(self, patch_datetime_now):
|
||||
print('patched datetime.datetime.now')
|
||||
|
||||
def test_diff_equal(self,default):
|
||||
assert str(default.diff(default)) == ''
|
||||
|
||||
|
||||
def test_diff_not_equal(self,default):
|
||||
new = Grid(default.material[1:,1:,1:]+1,default.size*.9,np.ones(3)-default.origin,comments=['modified'])
|
||||
assert str(default.diff(new)) != ''
|
||||
def test_equal(self,default):
|
||||
assert default == default
|
||||
|
||||
def test_repr(self,default):
|
||||
print(default)
|
||||
|
|
|
|||
|
|
@ -1,12 +1,14 @@
|
|||
import bz2
|
||||
import pickle
|
||||
import time
|
||||
import shutil
|
||||
import os
|
||||
import sys
|
||||
import hashlib
|
||||
from datetime import datetime
|
||||
|
||||
import pytest
|
||||
import numpy as np
|
||||
import h5py
|
||||
|
||||
from damask import Result
|
||||
from damask import Rotation
|
||||
|
|
@ -21,8 +23,7 @@ def default(tmp_path,ref_path):
|
|||
fname = '12grains6x7x8_tensionY.hdf5'
|
||||
shutil.copy(ref_path/fname,tmp_path)
|
||||
f = Result(tmp_path/fname)
|
||||
f.view('times',20.0)
|
||||
return f
|
||||
return f.view('times',20.0)
|
||||
|
||||
@pytest.fixture
|
||||
def single_phase(tmp_path,ref_path):
|
||||
|
|
@ -36,6 +37,17 @@ def ref_path(ref_path_base):
|
|||
"""Directory containing reference results."""
|
||||
return ref_path_base/'Result'
|
||||
|
||||
def dict_equal(d1, d2):
|
||||
for k in d1:
|
||||
if (k not in d2):
|
||||
return False
|
||||
else:
|
||||
if type(d1[k]) is dict:
|
||||
return dict_equal(d1[k],d2[k])
|
||||
else:
|
||||
if not np.allclose(d1[k],d2[k]):
|
||||
return False
|
||||
return True
|
||||
|
||||
class TestResult:
|
||||
|
||||
|
|
@ -44,51 +56,39 @@ class TestResult:
|
|||
|
||||
|
||||
def test_view_all(self,default):
|
||||
default.view('increments',True)
|
||||
a = default.get_dataset_location('F')
|
||||
default.view('increments','*')
|
||||
b = default.get_dataset_location('F')
|
||||
default.view('increments',default.increments_in_range(0,np.iinfo(int).max))
|
||||
c = default.get_dataset_location('F')
|
||||
a = default.view('increments',True).get('F')
|
||||
|
||||
default.view('times',True)
|
||||
d = default.get_dataset_location('F')
|
||||
default.view('times','*')
|
||||
e = default.get_dataset_location('F')
|
||||
default.view('times',default.times_in_range(0.0,np.inf))
|
||||
f = default.get_dataset_location('F')
|
||||
assert a == b == c == d == e ==f
|
||||
assert dict_equal(a,default.view('increments','*').get('F'))
|
||||
assert dict_equal(a,default.view('increments',default.increments_in_range(0,np.iinfo(int).max)).get('F'))
|
||||
|
||||
assert dict_equal(a,default.view('times',True).get('F'))
|
||||
assert dict_equal(a,default.view('times','*').get('F'))
|
||||
assert dict_equal(a,default.view('times',default.times_in_range(0.0,np.inf)).get('F'))
|
||||
|
||||
@pytest.mark.parametrize('what',['increments','times','phases']) # ToDo: discuss homogenizations
|
||||
def test_view_none(self,default,what):
|
||||
default.view(what,False)
|
||||
a = default.get_dataset_location('F')
|
||||
default.view(what,[])
|
||||
b = default.get_dataset_location('F')
|
||||
a = default.view(what,False).get('F')
|
||||
b = default.view(what,[]).get('F')
|
||||
|
||||
assert a == b == []
|
||||
assert a == b == {}
|
||||
|
||||
@pytest.mark.parametrize('what',['increments','times','phases']) # ToDo: discuss homogenizations
|
||||
def test_view_more(self,default,what):
|
||||
default.view(what,False)
|
||||
default.view_more(what,'*')
|
||||
a = default.get_dataset_location('F')
|
||||
empty = default.view(what,False)
|
||||
|
||||
default.view(what,True)
|
||||
b = default.get_dataset_location('F')
|
||||
a = empty.view_more(what,'*').get('F')
|
||||
b = empty.view_more(what,True).get('F')
|
||||
|
||||
assert a == b
|
||||
assert dict_equal(a,b)
|
||||
|
||||
@pytest.mark.parametrize('what',['increments','times','phases']) # ToDo: discuss homogenizations
|
||||
def test_view_less(self,default,what):
|
||||
default.view(what,True)
|
||||
default.view_less(what,'*')
|
||||
a = default.get_dataset_location('F')
|
||||
full = default.view(what,True)
|
||||
|
||||
default.view(what,False)
|
||||
b = default.get_dataset_location('F')
|
||||
a = full.view_less(what,'*').get('F')
|
||||
b = full.view_less(what,True).get('F')
|
||||
|
||||
assert a == b == []
|
||||
assert a == b == {}
|
||||
|
||||
def test_view_invalid(self,default):
|
||||
with pytest.raises(AttributeError):
|
||||
|
|
@ -96,10 +96,8 @@ class TestResult:
|
|||
|
||||
def test_add_absolute(self,default):
|
||||
default.add_absolute('F_e')
|
||||
loc = {'F_e': default.get_dataset_location('F_e'),
|
||||
'|F_e|': default.get_dataset_location('|F_e|')}
|
||||
in_memory = np.abs(default.read_dataset(loc['F_e'],0))
|
||||
in_file = default.read_dataset(loc['|F_e|'],0)
|
||||
in_memory = np.abs(default.place('F_e'))
|
||||
in_file = default.place('|F_e|')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
@pytest.mark.parametrize('mode',['direct','function'])
|
||||
|
|
@ -115,77 +113,59 @@ class TestResult:
|
|||
default.enable_user_function(f.my_func)
|
||||
default.add_calculation('x','my_func(#F#)','-','my notes')
|
||||
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'x': default.get_dataset_location('x')}
|
||||
in_memory = 2.0*np.abs(default.read_dataset(loc['F'],0))-1.0
|
||||
in_file = default.read_dataset(loc['x'],0)
|
||||
in_memory = 2.0*np.abs(default.place('F'))-1.0
|
||||
in_file = default.place('x')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_stress_Cauchy(self,default):
|
||||
default.add_stress_Cauchy('P','F')
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'P': default.get_dataset_location('P'),
|
||||
'sigma':default.get_dataset_location('sigma')}
|
||||
in_memory = mechanics.stress_Cauchy(default.read_dataset(loc['P'],0),
|
||||
default.read_dataset(loc['F'],0))
|
||||
in_file = default.read_dataset(loc['sigma'],0)
|
||||
in_memory = mechanics.stress_Cauchy(default.place('P'), default.place('F'))
|
||||
in_file = default.place('sigma')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_determinant(self,default):
|
||||
default.add_determinant('P')
|
||||
loc = {'P': default.get_dataset_location('P'),
|
||||
'det(P)':default.get_dataset_location('det(P)')}
|
||||
in_memory = np.linalg.det(default.read_dataset(loc['P'],0)).reshape(-1,1)
|
||||
in_file = default.read_dataset(loc['det(P)'],0)
|
||||
in_memory = np.linalg.det(default.place('P'))
|
||||
in_file = default.place('det(P)')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_deviator(self,default):
|
||||
default.add_deviator('P')
|
||||
loc = {'P' :default.get_dataset_location('P'),
|
||||
's_P':default.get_dataset_location('s_P')}
|
||||
in_memory = tensor.deviatoric(default.read_dataset(loc['P'],0))
|
||||
in_file = default.read_dataset(loc['s_P'],0)
|
||||
in_memory = tensor.deviatoric(default.place('P'))
|
||||
in_file = default.place('s_P')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
@pytest.mark.parametrize('eigenvalue,function',[('max',np.amax),('min',np.amin)])
|
||||
def test_add_eigenvalue(self,default,eigenvalue,function):
|
||||
default.add_stress_Cauchy('P','F')
|
||||
default.add_eigenvalue('sigma',eigenvalue)
|
||||
loc = {'sigma' :default.get_dataset_location('sigma'),
|
||||
'lambda':default.get_dataset_location(f'lambda_{eigenvalue}(sigma)')}
|
||||
in_memory = function(tensor.eigenvalues(default.read_dataset(loc['sigma'],0)),axis=1,keepdims=True)
|
||||
in_file = default.read_dataset(loc['lambda'],0)
|
||||
in_memory = function(tensor.eigenvalues(default.place('sigma')),axis=1)
|
||||
in_file = default.place(f'lambda_{eigenvalue}(sigma)')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
@pytest.mark.parametrize('eigenvalue,idx',[('max',2),('mid',1),('min',0)])
|
||||
def test_add_eigenvector(self,default,eigenvalue,idx):
|
||||
default.add_stress_Cauchy('P','F')
|
||||
default.add_eigenvector('sigma',eigenvalue)
|
||||
loc = {'sigma' :default.get_dataset_location('sigma'),
|
||||
'v(sigma)':default.get_dataset_location(f'v_{eigenvalue}(sigma)')}
|
||||
in_memory = tensor.eigenvectors(default.read_dataset(loc['sigma'],0))[:,idx]
|
||||
in_file = default.read_dataset(loc['v(sigma)'],0)
|
||||
in_memory = tensor.eigenvectors(default.place('sigma'))[:,idx]
|
||||
in_file = default.place(f'v_{eigenvalue}(sigma)')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
@pytest.mark.parametrize('d',[[1,0,0],[0,1,0],[0,0,1]])
|
||||
def test_add_IPF_color(self,default,d):
|
||||
default.add_IPF_color(d,'O')
|
||||
loc = {'O': default.get_dataset_location('O'),
|
||||
'color': default.get_dataset_location('IPFcolor_[{} {} {}]'.format(*d))}
|
||||
qu = default.read_dataset(loc['O']).view(np.double).squeeze()
|
||||
crystal_structure = default._get_attribute(default.get_dataset_location('O')[0],'lattice')
|
||||
qu = default.place('O')
|
||||
crystal_structure = qu.dtype.metadata['lattice']
|
||||
c = Orientation(rotation=qu,lattice=crystal_structure)
|
||||
in_memory = np.uint8(c.IPF_color(np.array(d))*255)
|
||||
in_file = default.read_dataset(loc['color'])
|
||||
in_file = default.place('IPFcolor_({} {} {})'.format(*d))
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_maximum_shear(self,default):
|
||||
default.add_stress_Cauchy('P','F')
|
||||
default.add_maximum_shear('sigma')
|
||||
loc = {'sigma' :default.get_dataset_location('sigma'),
|
||||
'max_shear(sigma)':default.get_dataset_location('max_shear(sigma)')}
|
||||
in_memory = mechanics.maximum_shear(default.read_dataset(loc['sigma'],0)).reshape(-1,1)
|
||||
in_file = default.read_dataset(loc['max_shear(sigma)'],0)
|
||||
in_memory = mechanics.maximum_shear(default.place('sigma'))
|
||||
in_file = default.place('max_shear(sigma)')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_Mises_strain(self,default):
|
||||
|
|
@ -194,26 +174,22 @@ class TestResult:
|
|||
default.add_strain('F',t,m)
|
||||
label = f'epsilon_{t}^{m}(F)'
|
||||
default.add_equivalent_Mises(label)
|
||||
loc = {label :default.get_dataset_location(label),
|
||||
label+'_vM':default.get_dataset_location(label+'_vM')}
|
||||
in_memory = mechanics.equivalent_strain_Mises(default.read_dataset(loc[label],0)).reshape(-1,1)
|
||||
in_file = default.read_dataset(loc[label+'_vM'],0)
|
||||
in_memory = mechanics.equivalent_strain_Mises(default.place(label))
|
||||
in_file = default.place(label+'_vM')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_Mises_stress(self,default):
|
||||
default.add_stress_Cauchy('P','F')
|
||||
default.add_equivalent_Mises('sigma')
|
||||
loc = {'sigma' :default.get_dataset_location('sigma'),
|
||||
'sigma_vM':default.get_dataset_location('sigma_vM')}
|
||||
in_memory = mechanics.equivalent_stress_Mises(default.read_dataset(loc['sigma'],0)).reshape(-1,1)
|
||||
in_file = default.read_dataset(loc['sigma_vM'],0)
|
||||
in_memory = mechanics.equivalent_stress_Mises(default.place('sigma'))
|
||||
in_file = default.place('sigma_vM')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_Mises_invalid(self,default):
|
||||
default.add_stress_Cauchy('P','F')
|
||||
default.add_calculation('sigma_y','#sigma#',unit='y')
|
||||
default.add_equivalent_Mises('sigma_y')
|
||||
assert default.get_dataset_location('sigma_y_vM') == []
|
||||
assert default.get('sigma_y_vM') == {}
|
||||
|
||||
def test_add_Mises_stress_strain(self,default):
|
||||
default.add_stress_Cauchy('P','F')
|
||||
|
|
@ -221,26 +197,20 @@ class TestResult:
|
|||
default.add_calculation('sigma_x','#sigma#',unit='x')
|
||||
default.add_equivalent_Mises('sigma_y',kind='strain')
|
||||
default.add_equivalent_Mises('sigma_x',kind='stress')
|
||||
loc = {'y' :default.get_dataset_location('sigma_y_vM'),
|
||||
'x' :default.get_dataset_location('sigma_x_vM')}
|
||||
assert not np.allclose(default.read_dataset(loc['y'],0),default.read_dataset(loc['x'],0))
|
||||
assert not np.allclose(default.place('sigma_y_vM'),default.place('sigma_x_vM'))
|
||||
|
||||
def test_add_norm(self,default):
|
||||
default.add_norm('F',1)
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'|F|_1':default.get_dataset_location('|F|_1')}
|
||||
in_memory = np.linalg.norm(default.read_dataset(loc['F'],0),ord=1,axis=(1,2),keepdims=True)
|
||||
in_file = default.read_dataset(loc['|F|_1'],0)
|
||||
@pytest.mark.parametrize('ord',[1,2])
|
||||
@pytest.mark.parametrize('dataset,axis',[('F',(1,2)),('xi_sl',(1,))])
|
||||
def test_add_norm(self,default,ord,dataset,axis):
|
||||
default.add_norm(dataset,ord)
|
||||
in_memory = np.linalg.norm(default.place(dataset),ord=ord,axis=axis,keepdims=True)
|
||||
in_file = default.place(f'|{dataset}|_{ord}')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_stress_second_Piola_Kirchhoff(self,default):
|
||||
default.add_stress_second_Piola_Kirchhoff('P','F')
|
||||
loc = {'F':default.get_dataset_location('F'),
|
||||
'P':default.get_dataset_location('P'),
|
||||
'S':default.get_dataset_location('S')}
|
||||
in_memory = mechanics.stress_second_Piola_Kirchhoff(default.read_dataset(loc['P'],0),
|
||||
default.read_dataset(loc['F'],0))
|
||||
in_file = default.read_dataset(loc['S'],0)
|
||||
in_memory = mechanics.stress_second_Piola_Kirchhoff(default.place('P'),default.place('F'))
|
||||
in_file = default.place('S')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
@pytest.mark.skip(reason='requires rework of lattice.f90')
|
||||
|
|
@ -248,30 +218,24 @@ class TestResult:
|
|||
def test_add_pole(self,default,polar):
|
||||
pole = np.array([1.,0.,0.])
|
||||
default.add_pole('O',pole,polar)
|
||||
loc = {'O': default.get_dataset_location('O'),
|
||||
'pole': default.get_dataset_location('p^{}_[1 0 0)'.format(u'rφ' if polar else 'xy'))}
|
||||
rot = Rotation(default.read_dataset(loc['O']).view(np.double))
|
||||
rot = Rotation(default.place('O'))
|
||||
rotated_pole = rot * np.broadcast_to(pole,rot.shape+(3,))
|
||||
xy = rotated_pole[:,0:2]/(1.+abs(pole[2]))
|
||||
in_memory = xy if not polar else \
|
||||
np.block([np.sqrt(xy[:,0:1]*xy[:,0:1]+xy[:,1:2]*xy[:,1:2]),np.arctan2(xy[:,1:2],xy[:,0:1])])
|
||||
in_file = default.read_dataset(loc['pole'])
|
||||
in_file = default.place('p^{}_[1 0 0)'.format(u'rφ' if polar else 'xy'))
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_rotation(self,default):
|
||||
default.add_rotation('F')
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'R(F)': default.get_dataset_location('R(F)')}
|
||||
in_memory = mechanics.rotation(default.read_dataset(loc['F'],0)).as_matrix()
|
||||
in_file = default.read_dataset(loc['R(F)'],0)
|
||||
in_memory = mechanics.rotation(default.place('F')).as_matrix()
|
||||
in_file = default.place('R(F)')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_spherical(self,default):
|
||||
default.add_spherical('P')
|
||||
loc = {'P': default.get_dataset_location('P'),
|
||||
'p_P': default.get_dataset_location('p_P')}
|
||||
in_memory = tensor.spherical(default.read_dataset(loc['P'],0),False).reshape(-1,1)
|
||||
in_file = default.read_dataset(loc['p_P'],0)
|
||||
in_memory = tensor.spherical(default.place('P'),False)
|
||||
in_file = default.place('p_P')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_strain(self,default):
|
||||
|
|
@ -279,26 +243,20 @@ class TestResult:
|
|||
m = np.random.random()*2.0 - 1.0
|
||||
default.add_strain('F',t,m)
|
||||
label = f'epsilon_{t}^{m}(F)'
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
label: default.get_dataset_location(label)}
|
||||
in_memory = mechanics.strain(default.read_dataset(loc['F'],0),t,m)
|
||||
in_file = default.read_dataset(loc[label],0)
|
||||
in_memory = mechanics.strain(default.place('F'),t,m)
|
||||
in_file = default.place(label)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_stretch_right(self,default):
|
||||
default.add_stretch_tensor('F','U')
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'U(F)': default.get_dataset_location('U(F)')}
|
||||
in_memory = mechanics.stretch_right(default.read_dataset(loc['F'],0))
|
||||
in_file = default.read_dataset(loc['U(F)'],0)
|
||||
in_memory = mechanics.stretch_right(default.place('F'))
|
||||
in_file = default.place('U(F)')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_stretch_left(self,default):
|
||||
default.add_stretch_tensor('F','V')
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'V(F)': default.get_dataset_location('V(F)')}
|
||||
in_memory = mechanics.stretch_left(default.read_dataset(loc['F'],0))
|
||||
in_file = default.read_dataset(loc['V(F)'],0)
|
||||
in_memory = mechanics.stretch_left(default.place('F'))
|
||||
in_file = default.place('V(F)')
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_invalid(self,default):
|
||||
|
|
@ -307,48 +265,40 @@ class TestResult:
|
|||
|
||||
@pytest.mark.parametrize('overwrite',['off','on'])
|
||||
def test_add_overwrite(self,default,overwrite):
|
||||
default.view('times',default.times_in_range(0,np.inf)[-1])
|
||||
last = default.view('times',default.times_in_range(0,np.inf)[-1])
|
||||
|
||||
default.add_stress_Cauchy()
|
||||
loc = default.get_dataset_location('sigma')
|
||||
with h5py.File(default.fname,'r') as f:
|
||||
# h5py3 compatibility
|
||||
try:
|
||||
created_first = f[loc[0]].attrs['created'].decode()
|
||||
except AttributeError:
|
||||
created_first = f[loc[0]].attrs['created']
|
||||
last.add_stress_Cauchy()
|
||||
|
||||
created_first = last.place('sigma').dtype.metadata['created']
|
||||
created_first = datetime.strptime(created_first,'%Y-%m-%d %H:%M:%S%z')
|
||||
|
||||
if overwrite == 'on':
|
||||
default.allow_modification()
|
||||
last = last.allow_modification()
|
||||
else:
|
||||
default.disallow_modification()
|
||||
last = last.disallow_modification()
|
||||
|
||||
time.sleep(2.)
|
||||
try:
|
||||
default.add_calculation('sigma','#sigma#*0.0+311.','not the Cauchy stress')
|
||||
last.add_calculation('sigma','#sigma#*0.0+311.','not the Cauchy stress')
|
||||
except ValueError:
|
||||
pass
|
||||
with h5py.File(default.fname,'r') as f:
|
||||
# h5py3 compatibility
|
||||
try:
|
||||
created_second = f[loc[0]].attrs['created'].decode()
|
||||
except AttributeError:
|
||||
created_second = f[loc[0]].attrs['created']
|
||||
|
||||
created_second = last.place('sigma').dtype.metadata['created']
|
||||
created_second = datetime.strptime(created_second,'%Y-%m-%d %H:%M:%S%z')
|
||||
|
||||
if overwrite == 'on':
|
||||
assert created_first < created_second and np.allclose(default.read_dataset(loc),311.)
|
||||
assert created_first < created_second and np.allclose(last.place('sigma'),311.)
|
||||
else:
|
||||
assert created_first == created_second and not np.allclose(default.read_dataset(loc),311.)
|
||||
assert created_first == created_second and not np.allclose(last.place('sigma'),311.)
|
||||
|
||||
@pytest.mark.parametrize('allowed',['off','on'])
|
||||
def test_rename(self,default,allowed):
|
||||
if allowed == 'on':
|
||||
F = default.read_dataset(default.get_dataset_location('F'))
|
||||
default.allow_modification()
|
||||
F = default.place('F')
|
||||
default = default.allow_modification()
|
||||
default.rename('F','new_name')
|
||||
assert np.all(F == default.read_dataset(default.get_dataset_location('new_name')))
|
||||
default.disallow_modification()
|
||||
assert np.all(F == default.place('new_name'))
|
||||
default = default.disallow_modification()
|
||||
|
||||
with pytest.raises(PermissionError):
|
||||
default.rename('P','another_new_name')
|
||||
|
|
@ -363,10 +313,30 @@ class TestResult:
|
|||
b = default.coordinates0_node.reshape(tuple(default.cells+1)+(3,),order='F')
|
||||
assert np.allclose(a,b)
|
||||
|
||||
@pytest.mark.parametrize('output',['F',[],['F','P']])
|
||||
def test_vtk(self,tmp_path,default,output):
|
||||
# need to wait for writing in parallel, output order might change if select more then one
|
||||
@pytest.mark.parametrize('output',['F','*',['P']],ids=range(3))
|
||||
@pytest.mark.parametrize('fname',['12grains6x7x8_tensionY.hdf5'],ids=range(1))
|
||||
@pytest.mark.parametrize('inc',[4,0],ids=range(2))
|
||||
def test_vtk(self,request,tmp_path,ref_path,update,output,fname,inc):
|
||||
result = Result(ref_path/fname).view('increments',inc)
|
||||
os.chdir(tmp_path)
|
||||
default.save_VTK(output)
|
||||
result.save_VTK(output)
|
||||
fname = fname.split('.')[0]+f'_inc{(inc if type(inc) == int else inc[0]):0>2}.vtr'
|
||||
last = ''
|
||||
for i in range(10):
|
||||
if os.path.isfile(tmp_path/fname):
|
||||
with open(fname) as f:
|
||||
cur = hashlib.md5(f.read().encode()).hexdigest()
|
||||
if cur == last:
|
||||
break
|
||||
else:
|
||||
last = cur
|
||||
time.sleep(.5)
|
||||
if update:
|
||||
with open((ref_path/'save_VTK'/request.node.name).with_suffix('.md5'),'w') as f:
|
||||
f.write(cur)
|
||||
with open((ref_path/'save_VTK'/request.node.name).with_suffix('.md5')) as f:
|
||||
assert cur == f.read()
|
||||
|
||||
@pytest.mark.parametrize('mode',['point','cell'])
|
||||
def test_vtk_mode(self,tmp_path,single_phase,mode):
|
||||
|
|
@ -387,3 +357,52 @@ class TestResult:
|
|||
def test_XDMF_invalid(self,default):
|
||||
with pytest.raises(TypeError):
|
||||
default.save_XDMF()
|
||||
|
||||
@pytest.mark.parametrize('view,output,flatten,prune',
|
||||
[({},['F','P','F','L_p','F_e','F_p'],True,True),
|
||||
({'increments':3},'F',True,True),
|
||||
({'increments':[1,8,3,4,5,6,7]},['F','P'],True,True),
|
||||
({'phases':['A','B']},['F','P'],True,True),
|
||||
({'phases':['A','C'],'homogenizations':False},['F','P','O'],True,True),
|
||||
({'phases':False,'homogenizations':False},['F','P','O'],True,True),
|
||||
({'phases':False},['Delta_V'],True,True),
|
||||
({},['u_p','u_n'],False,False)],
|
||||
ids=list(range(8)))
|
||||
def test_get(self,update,request,ref_path,view,output,flatten,prune):
|
||||
result = Result(ref_path/'4grains2x4x3_compressionY.hdf5')
|
||||
for key,value in view.items():
|
||||
result = result.view(key,value)
|
||||
|
||||
fname = request.node.name
|
||||
cur = result.get(output,flatten,prune)
|
||||
if update:
|
||||
with bz2.BZ2File((ref_path/'get'/fname).with_suffix('.pbz2'),'w') as f:
|
||||
pickle.dump(cur,f)
|
||||
|
||||
with bz2.BZ2File((ref_path/'get'/fname).with_suffix('.pbz2')) as f:
|
||||
assert dict_equal(cur,pickle.load(f))
|
||||
|
||||
|
||||
@pytest.mark.parametrize('view,output,flatten,constituents,prune',
|
||||
[({},['F','P','F','L_p','F_e','F_p'],True,True,None),
|
||||
({'increments':3},'F',True,True,[0,1,2,3,4,5,6,7]),
|
||||
({'increments':[1,8,3,4,5,6,7]},['F','P'],True,True,1),
|
||||
({'phases':['A','B']},['F','P'],True,True,[1,2]),
|
||||
({'phases':['A','C'],'homogenizations':False},['F','P','O'],True,True,[0,7]),
|
||||
({'phases':False,'homogenizations':False},['F','P','O'],True,True,[1,2,3,4]),
|
||||
({'phases':False},['Delta_V'],True,True,[1,2,4]),
|
||||
({},['u_p','u_n'],False,False,None)],
|
||||
ids=list(range(8)))
|
||||
def test_place(self,update,request,ref_path,view,output,flatten,prune,constituents):
|
||||
result = Result(ref_path/'4grains2x4x3_compressionY.hdf5')
|
||||
for key,value in view.items():
|
||||
result = result.view(key,value)
|
||||
|
||||
fname = request.node.name
|
||||
cur = result.place(output,flatten,prune,constituents)
|
||||
if update:
|
||||
with bz2.BZ2File((ref_path/'place'/fname).with_suffix('.pbz2'),'w') as f:
|
||||
pickle.dump(cur,f)
|
||||
|
||||
with bz2.BZ2File((ref_path/'place'/fname).with_suffix('.pbz2')) as f:
|
||||
assert dict_equal(cur,pickle.load(f))
|
||||
|
|
|
|||
|
|
@ -4,6 +4,7 @@ import time
|
|||
|
||||
import pytest
|
||||
import numpy as np
|
||||
import numpy.ma as ma
|
||||
|
||||
from damask import VTK
|
||||
from damask import grid_filters
|
||||
|
|
@ -134,6 +135,15 @@ class TestVTK:
|
|||
with pytest.raises(TypeError):
|
||||
default.add('invalid_type','valid')
|
||||
|
||||
def test_add_masked(self,default):
|
||||
data = np.random.rand(5*6*7,3)
|
||||
masked = ma.MaskedArray(data,mask=data<.4,fill_value=42.)
|
||||
default.add(masked,'D')
|
||||
result_masked = str(default)
|
||||
default.add(np.where(masked.mask,masked.fill_value,masked),'D')
|
||||
assert result_masked == str(default)
|
||||
|
||||
|
||||
def test_comments(self,tmp_path,default):
|
||||
default.add_comments(['this is a comment'])
|
||||
default.save(tmp_path/'with_comments',parallel=False)
|
||||
|
|
|
|||
|
|
@ -136,3 +136,25 @@ class TestUtil:
|
|||
else:
|
||||
with pytest.raises(ValueError):
|
||||
util.DREAM3D_cell_data_group(tmp_path/'cell_data_group.dream3d')
|
||||
|
||||
|
||||
@pytest.mark.parametrize('full,reduced',[({}, {}),
|
||||
({'A':{}}, {}),
|
||||
({'A':{'B':{}}}, {}),
|
||||
({'A':{'B':'C'}},)*2,
|
||||
({'A':{'B':{},'C':'D'}}, {'A':{'C':'D'}})])
|
||||
def test_prune(self,full,reduced):
|
||||
assert util.dict_prune(full) == reduced
|
||||
|
||||
|
||||
@pytest.mark.parametrize('full,reduced',[({}, {}),
|
||||
({'A':{}}, {}),
|
||||
({'A':'F'}, 'F'),
|
||||
({'A':{'B':{}}}, {}),
|
||||
({'A':{'B':'C'}}, 'C'),
|
||||
({'A':1,'B':2},)*2,
|
||||
({'A':{'B':'C','D':'E'}}, {'B':'C','D':'E'}),
|
||||
({'B':'C','D':'E'},)*2,
|
||||
({'A':{'B':{},'C':'D'}}, {'B':{},'C':'D'})])
|
||||
def test_flatten(self,full,reduced):
|
||||
assert util.dict_flatten(full) == reduced
|
||||
|
|
|
|||
|
|
@ -85,8 +85,8 @@ program DAMASK_mesh
|
|||
stagItMax = num_mesh%get_asInt('maxStaggeredIter',defaultVal=10)
|
||||
maxCutBack = num_mesh%get_asInt('maxCutBack',defaultVal=3)
|
||||
|
||||
if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
|
||||
if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
|
||||
if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
|
||||
if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
|
||||
|
||||
! reading basic information from load case file and allocate data structure containing load cases
|
||||
call DMGetDimension(geomMesh,dimPlex,ierr) !< dimension of mesh (2D or 3D)
|
||||
|
|
|
|||
Loading…
Reference in New Issue