All geom methods are now out-of-place, i.e. return an updated duplicate (to allow for daisy chaining).

* Added comments when methods acted.
* Added diff method
* Added flip method
* Fixed add_primitive inversion bug (again...)
* Fixed cell centering bug in add_primitive

* Added missing tests
This commit is contained in:
Philip Eisenlohr 2020-08-23 18:46:01 -04:00
parent a1f1b91c7f
commit 446ac03b07
2 changed files with 263 additions and 116 deletions

View File

@ -7,6 +7,7 @@ from functools import partial
import numpy as np
from scipy import ndimage,spatial
from . import version
from . import environment
from . import Rotation
from . import VTK
@ -24,15 +25,15 @@ class Geom:
Parameters
----------
microstructure : numpy.ndarray
microstructure array (3D)
Microstructure array (3D)
size : list or numpy.ndarray
physical size of the microstructure in meter.
Physical size of the microstructure in meter.
origin : list or numpy.ndarray, optional
physical origin of the microstructure in meter.
Physical origin of the microstructure in meter.
homogenization : int, optional
homogenization index.
Homogenization index.
comments : list of str, optional
comments lines.
Comment lines.
"""
self.set_microstructure(microstructure)
@ -50,7 +51,7 @@ class Geom:
f'origin x y z: {util.srepr(self.get_origin()," ")}',
f'# microstructures: {self.N_microstructure}',
f'max microstructure: {np.nanmax(self.microstructure)}',
])
]+self.get_comments())
def __copy__(self):
@ -63,20 +64,57 @@ class Geom:
return self.__copy__()
def update(self,microstructure=None,size=None,origin=None,rescale=False):
def duplicate(self,microstructure=None,size=None,origin=None,comments=None,autosize=False):
"""
Create a duplicate having updated microstructure, size, and origin.
Parameters
----------
microstructure : numpy.ndarray, optional
Microstructure array (3D).
size : list or numpy.ndarray, optional
Physical size of the microstructure in meter.
origin : list or numpy.ndarray, optional
Physical origin of the microstructure in meter.
comments : list of str, optional
Comment lines.
autosize : bool, optional
Ignore size parameter and rescale according to change of grid points.
"""
if size is not None and autosize:
raise ValueError('Auto sizing conflicts with explicit size parameter.')
grid_old = self.get_grid()
dup = self.copy()
dup.set_microstructure(microstructure)
dup.set_origin(origin)
if comments is not None:
dup.set_comments(comments)
if size is not None:
dup.set_size(size)
elif autosize:
dup.set_size(dup.get_grid()/grid_old*self.get_size())
return dup
def update(self,microstructure=None,size=None,origin=None,autosize=False):
"""
Update microstructure and size.
Parameters
----------
microstructure : numpy.ndarray, optional
microstructure array (3D).
Microstructure array (3D).
size : list or numpy.ndarray, optional
physical size of the microstructure in meter.
Physical size of the microstructure in meter.
origin : list or numpy.ndarray, optional
physical origin of the microstructure in meter.
rescale : bool, optional
ignore size parameter and rescale according to change of grid points.
Physical origin of the microstructure in meter.
autosize : bool, optional
Ignore size parameter and rescale according to change of grid points.
"""
grid_old = self.get_grid()
@ -85,15 +123,15 @@ class Geom:
unique_old = self.N_microstructure
max_old = np.nanmax(self.microstructure)
if size is not None and rescale:
raise ValueError('Either set size explicitly or rescale automatically')
if size is not None and autosize:
raise ValueError('Auto sizing conflicts with explicit size parameter.')
self.set_microstructure(microstructure)
self.set_origin(origin)
if size is not None:
self.set_size(size)
elif rescale:
elif autosize:
self.set_size(self.get_grid()/grid_old*self.size)
message = [f'grid a b c: {util.srepr(grid_old," x ")}']
@ -124,6 +162,40 @@ class Geom:
return util.return_message(message)
def diff(self,other):
"""
Report property differences of self relative to other.
Parameters
----------
other : Geom
Geometry to compare self against.
"""
message = []
if np.any(other.get_grid() != self.get_grid()):
message.append(util.delete(f'grid a b c: {util.srepr(other.get_grid()," x ")}'))
message.append(util.emph( f'grid a b c: {util.srepr( self.get_grid()," x ")}'))
if np.any(other.get_size() != self.get_size()):
message.append(util.delete(f'size x y z: {util.srepr(other.get_size()," x ")}'))
message.append(util.emph( f'size x y z: {util.srepr( self.get_size()," x ")}'))
if np.any(other.get_origin() != self.get_origin()):
message.append(util.delete(f'origin x y z: {util.srepr(other.get_origin()," ")}'))
message.append(util.emph( f'origin x y z: {util.srepr( self.get_origin()," ")}'))
if other.N_microstructure != self.N_microstructure:
message.append(util.delete(f'# microstructures: {other.N_microstructure}'))
message.append(util.emph( f'# microstructures: { self.N_microstructure}'))
if np.nanmax(other.microstructure) != np.nanmax(self.microstructure):
message.append(util.delete(f'max microstructure: {np.nanmax(other.microstructure)}'))
message.append(util.emph( f'max microstructure: {np.nanmax( self.microstructure)}'))
return util.return_message(message)
def set_comments(self,comments):
"""
Replace all existing comments.
@ -131,7 +203,7 @@ class Geom:
Parameters
----------
comments : list of str
new comments.
All comments.
"""
self.comments = []
@ -145,7 +217,7 @@ class Geom:
Parameters
----------
comments : list of str
new comments.
New comments.
"""
self.comments += [str(c) for c in comments] if isinstance(comments,list) else [str(comments)]
@ -172,6 +244,10 @@ class Geom:
else:
self.microstructure = np.copy(microstructure)
if self.microstructure.dtype == float and \
np.all(self.microstructure == self.microstructure.astype(int).astype(float)):
self.microstructure = self.microstructure.astype(int)
if len(self.microstructure.shape) != 3:
raise ValueError(f'Invalid microstructure shape {microstructure.shape}')
elif self.microstructure.dtype not in np.sctypes['float'] + np.sctypes['int']:
@ -185,7 +261,7 @@ class Geom:
Parameters
----------
size : list or numpy.ndarray
physical size of the microstructure in meter.
Physical size of the microstructure in meter.
"""
if size is None:
@ -205,7 +281,7 @@ class Geom:
Parameters
----------
origin : list or numpy.ndarray
physical origin of the microstructure in meter
Physical origin of the microstructure in meter.
"""
if origin is not None:
@ -222,12 +298,12 @@ class Geom:
Parameters
----------
homogenization : int
homogenization index
Homogenization index.
"""
if homogenization is not None:
if not isinstance(homogenization,int) or homogenization < 1:
raise TypeError(f'Invalid homogenization {homogenization}')
raise TypeError(f'Invalid homogenization {homogenization}.')
else:
self.homogenization = homogenization
@ -419,8 +495,11 @@ class Geom:
else:
microstructure = microstructure.reshape(grid)
#ToDo: comments = 'geom.py:from_Laguerre_tessellation v{}'.format(version)
return Geom(microstructure+1,size,homogenization=1)
return Geom(microstructure+1,
size,
homogenization=1,
comments=f'geom.py:from_Laguerre_tessellation v{version}',
)
@staticmethod
@ -444,8 +523,11 @@ class Geom:
KDTree = spatial.cKDTree(seeds,boxsize=size) if periodic else spatial.cKDTree(seeds)
devNull,microstructure = KDTree.query(coords)
#ToDo: comments = 'geom.py:from_Voronoi_tessellation v{}'.format(version)
return Geom(microstructure.reshape(grid)+1,size,homogenization=1)
return Geom(microstructure.reshape(grid)+1,
size,
homogenization=1,
comments=f'geom.py:from_Voronoi_tessellation v{version}',
)
def to_file(self,fname,pack=None):
@ -535,7 +617,7 @@ class Geom:
def show(self):
"""Show raw content (as in file)."""
f=StringIO()
f = StringIO()
self.to_file(f)
f.seek(0)
return ''.join(f.readlines())
@ -565,10 +647,10 @@ class Geom:
R : damask.Rotation, optional
Rotation of primitive. Defaults to no rotation.
inverse : Boolean, optional
Retain original microstructure within primitive and fill
outside. Defaults to False.
Retain original microstructure within primitive and fill outside.
Defaults to False.
periodic : Boolean, optional
Repeat primitive over boundaries. Defaults to False.
Repeat primitive over boundaries. Defaults to True.
"""
# normalized 'radius' and center
@ -578,11 +660,11 @@ class Geom:
(np.array(center) - self.origin)/self.size
coords = grid_filters.cell_coord0(self.grid,np.ones(3)) \
- (np.ones(3)*0.5 if periodic else c) # center if periodic
- ((np.ones(3)-(1./self.grid if np.array(center).dtype in np.sctypes['int'] else 0))*0.5 if periodic else c) # periodic center is always at CoG
coords_rot = R.broadcast_to(tuple(self.grid))@coords
with np.errstate(over='ignore',under='ignore'):
mask = np.where(np.sum(np.abs(coords_rot/r)**(2.0**exponent),axis=-1) < 1,True,False)
mask = np.where(np.sum(np.abs(coords_rot/r)**(2.0**exponent),axis=-1) <= 1.0,False,True)
if periodic: # translate back to center
mask = np.roll(mask,((c-np.ones(3)*.5)*self.grid).astype(int),(0,1,2))
@ -590,7 +672,9 @@ class Geom:
fill_ = np.full_like(self.microstructure,np.nanmax(self.microstructure)+1 if fill is None else fill)
ms = np.ma.MaskedArray(fill_,np.logical_not(mask) if inverse else mask)
return self.update(ms)
return self.duplicate(ms,
comments=self.get_comments()+[f'geom.py:add_primitive v{version}'],
)
def mirror(self,directions,reflect=False):
@ -622,8 +706,41 @@ class Geom:
if 'x' in directions:
ms = np.concatenate([ms,ms[limits[0]:limits[1]:-1,:,:]],0)
#ToDo: self.add_comments('geom.py:mirror v{}'.format(version)
return self.update(ms,rescale=True)
return self.duplicate(ms,
comments=self.get_comments()+[f'geom.py:mirror {set(directions)} v{version}'],
autosize=True)
def flip(self,directions):
"""
Flip microstructure along given directions.
Parameters
----------
directions : iterable containing str
Direction(s) along which the microstructure is flipped.
Valid entries are 'x', 'y', 'z'.
"""
valid = {'x','y','z'}
if not all(isinstance(d, str) for d in directions):
raise TypeError('Directions are not of type str.')
elif not set(directions).issubset(valid):
raise ValueError(f'Invalid direction {set(directions).difference(valid)} specified.')
limits = [None,None]
ms = self.get_microstructure()
if 'z' in directions:
ms = ms[:,:,limits[0]:limits[1]:-1]
if 'y' in directions:
ms = ms[:,limits[0]:limits[1]:-1,:]
if 'x' in directions:
ms = ms[limits[0]:limits[1]:-1,:,:]
return self.duplicate(ms,
comments=self.get_comments()+[f'geom.py:flip {set(directions)} v{version}'],
)
def scale(self,grid):
@ -636,17 +753,16 @@ class Geom:
Number of grid points in x,y,z direction.
"""
#ToDo: self.add_comments('geom.py:scale v{}'.format(version)
return self.update(
ndimage.interpolation.zoom(
self.microstructure,
grid/self.get_grid(),
output=self.microstructure.dtype,
order=0,
mode='nearest',
prefilter=False
)
)
return self.duplicate(ndimage.interpolation.zoom(
self.microstructure,
grid/self.get_grid(),
output=self.microstructure.dtype,
order=0,
mode='nearest',
prefilter=False
),
comments=self.get_comments()+[f'geom.py:scale {grid} v{version}'],
)
def clean(self,stencil=3,mode='nearest',selection=None):
@ -672,15 +788,15 @@ class Geom:
else:
return me
#ToDo: self.add_comments('geom.py:clean v{}'.format(version)
return self.update(ndimage.filters.generic_filter(
self.microstructure,
mostFrequent,
size=(stencil if selection is None else stencil//2*2+1,)*3,
mode=mode,
extra_keywords=dict(selection=selection),
).astype(self.microstructure.dtype)
)
return self.duplicate(ndimage.filters.generic_filter(
self.microstructure,
mostFrequent,
size=(stencil if selection is None else stencil//2*2+1,)*3,
mode=mode,
extra_keywords=dict(selection=selection),
).astype(self.microstructure.dtype),
comments=self.get_comments()+[f'geom.py:clean {stencil} {mode} v{version}'],
)
def renumber(self):
@ -689,8 +805,9 @@ class Geom:
for i, oldID in enumerate(np.unique(self.microstructure)):
renumbered = np.where(self.microstructure == oldID, i+1, renumbered)
#ToDo: self.add_comments('geom.py:renumber v{}'.format(version)
return self.update(renumbered)
return self.duplicate(renumbered,
comments=self.get_comments()+[f'geom.py:renumber v{version}'],
)
def rotate(self,R,fill=None):
@ -724,8 +841,11 @@ class Geom:
origin = self.origin-(np.asarray(microstructure_in.shape)-self.grid)*.5 * self.size/self.grid
#ToDo: self.add_comments('geom.py:rotate v{}'.format(version)
return self.update(microstructure_in,origin=origin,rescale=True)
return self.duplicate(microstructure_in,
origin=origin,
comments=self.get_comments()+[f'geom.py:rotate {R.as_quaternion()} v{version}'],
autosize=True,
)
def canvas(self,grid=None,offset=None,fill=None):
@ -757,8 +877,11 @@ class Geom:
canvas[ll[0]:ur[0],ll[1]:ur[1],ll[2]:ur[2]] = self.microstructure[LL[0]:UR[0],LL[1]:UR[1],LL[2]:UR[2]]
#ToDo: self.add_comments('geom.py:canvas v{}'.format(version)
return self.update(canvas,origin=self.origin+offset*self.size/self.grid,rescale=True)
return self.duplicate(canvas,
origin=self.origin+offset*self.size/self.grid,
comments=self.get_comments()+[f'geom.py:canvas {grid} {offset} {fill} v{version}'],
autosize=True,
)
def substitute(self,from_microstructure,to_microstructure):
@ -777,8 +900,9 @@ class Geom:
for from_ms,to_ms in zip(from_microstructure,to_microstructure):
substituted[self.microstructure==from_ms] = to_ms
#ToDo: self.add_comments('geom.py:substitute v{}'.format(version)
return self.update(substituted)
return self.duplicate(substituted,
comments=self.get_comments()+[f'geom.py:substitute v{version}'],
)
def vicinity_offset(self,vicinity=1,offset=None,trigger=[],periodic=True):
@ -819,9 +943,10 @@ class Geom:
mask = ndimage.filters.generic_filter(self.microstructure,
tainted_neighborhood,
size=1+2*vicinity,
mode=('wrap' if periodic else 'nearest'),
mode='wrap' if periodic else 'nearest',
extra_keywords={'trigger':trigger})
microstructure = np.ma.MaskedArray(self.microstructure + offset_, np.logical_not(mask))
#ToDo: self.add_comments('geom.py:vicinity_offset v{}'.format(version)
return self.update(microstructure)
return self.duplicate(microstructure,
comments=self.get_comments()+[f'geom.py:vicinity_offset {vicinity} v{version}'],
)

View File

@ -28,6 +28,19 @@ def reference_dir(reference_dir_base):
class TestGeom:
@pytest.mark.parametrize('flavor',['plain','explicit'])
def test_duplicate(self,default,flavor):
if flavor == 'plain':
modified = default.duplicate()
elif flavor == 'explicit':
modified = default.duplicate(
default.get_microstructure(),
default.get_size(),
default.get_origin()
)
print(modified)
assert geom_equal(default,modified)
def test_update(self,default):
modified = default.copy()
modified.update(
@ -36,7 +49,7 @@ class TestGeom:
default.get_origin()
)
print(modified)
assert geom_equal(modified,default)
assert geom_equal(default,modified)
@pytest.mark.parametrize('masked',[True,False])
def test_set_microstructure(self,default,masked):
@ -47,36 +60,38 @@ class TestGeom:
def test_write_read_str(self,default,tmpdir):
default.to_file(str(tmpdir.join('default.geom')))
new = Geom.from_file(str(tmpdir.join('default.geom')))
assert geom_equal(new,default)
default.to_file(tmpdir/'default.geom')
new = Geom.from_file(tmpdir/'default.geom')
assert geom_equal(default,new)
def test_write_read_file(self,default,tmpdir):
with open(tmpdir.join('default.geom'),'w') as f:
with open(tmpdir/'default.geom','w') as f:
default.to_file(f)
with open(tmpdir.join('default.geom')) as f:
with open(tmpdir/'default.geom') as f:
new = Geom.from_file(f)
assert geom_equal(new,default)
assert geom_equal(default,new)
def test_write_show(self,default,tmpdir):
with open(tmpdir.join('str.geom'),'w') as f:
with open(tmpdir/'str.geom','w') as f:
f.write(default.show())
with open(tmpdir.join('str.geom')) as f:
with open(tmpdir/'str.geom') as f:
new = Geom.from_file(f)
assert geom_equal(new,default)
assert geom_equal(default,new)
def test_export_import_vtk(self,default,tmpdir):
default.to_vtk(tmpdir/'default')
assert geom_equal(default,Geom.from_vtk(tmpdir/'default.vtr'))
def test_export_vtk(self,default,tmpdir):
default.to_vtk(str(tmpdir.join('default')))
@pytest.mark.parametrize('pack',[True,False])
def test_pack(self,default,tmpdir,pack):
default.to_file(tmpdir.join('default.geom'),pack=pack)
new = Geom.from_file(tmpdir.join('default.geom'))
default.to_file(tmpdir/'default.geom',pack=pack)
new = Geom.from_file(tmpdir/'default.geom')
assert geom_equal(new,default)
def test_invalid_combination(self,default):
with pytest.raises(ValueError):
default.update(default.microstructure[1:,1:,1:],size=np.ones(3), rescale=True)
default.update(default.microstructure[1:,1:,1:],size=np.ones(3), autosize=True)
def test_invalid_size(self,default):
with pytest.raises(ValueError):
@ -108,21 +123,36 @@ class TestGeom:
]
)
def test_mirror(self,default,update,reference_dir,directions,reflect):
modified = default.copy()
modified.mirror(directions,reflect)
modified = default.mirror(directions,reflect)
tag = f'directions={"-".join(directions)}_reflect={reflect}'
reference = reference_dir/f'mirror_{tag}.geom'
if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference))
assert geom_equal(Geom.from_file(reference),
modified)
@pytest.mark.parametrize('directions',[
['x'],
['x','y','z'],
['z','x','y'],
['y','z'],
]
)
def test_flip(self,default,update,reference_dir,directions):
modified = default.flip(directions)
tag = f'directions={"-".join(directions)}'
reference = reference_dir/f'flip_{tag}.geom'
if update: modified.to_file(reference)
assert geom_equal(Geom.from_file(reference),
modified)
@pytest.mark.parametrize('stencil',[1,2,3,4])
def test_clean(self,default,update,reference_dir,stencil):
modified = default.copy()
modified.clean(stencil)
modified = default.clean(stencil)
tag = f'stencil={stencil}'
reference = reference_dir/f'clean_{tag}.geom'
if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference))
assert geom_equal(Geom.from_file(reference),
modified)
@pytest.mark.parametrize('grid',[
(10,11,10),
@ -134,33 +164,29 @@ class TestGeom:
]
)
def test_scale(self,default,update,reference_dir,grid):
modified = default.copy()
modified.scale(grid)
modified = default.scale(grid)
tag = f'grid={util.srepr(grid,"-")}'
reference = reference_dir/f'scale_{tag}.geom'
if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference))
assert geom_equal(Geom.from_file(reference),
modified)
def test_renumber(self,default):
modified = default.copy()
microstructure = modified.get_microstructure()
microstructure = default.get_microstructure()
for m in np.unique(microstructure):
microstructure[microstructure==m] = microstructure.max() + np.random.randint(1,30)
modified.update(microstructure)
modified = default.duplicate(microstructure)
assert not geom_equal(modified,default)
modified.renumber()
assert geom_equal(modified,default)
assert geom_equal(default,
modified.renumber())
def test_substitute(self,default):
modified = default.copy()
microstructure = modified.get_microstructure()
offset = np.random.randint(1,500)
microstructure += offset
modified.update(microstructure)
modified = default.duplicate(default.get_microstructure() + offset)
assert not geom_equal(modified,default)
modified.substitute(np.arange(default.microstructure.max())+1+offset,
np.arange(default.microstructure.max())+1)
assert geom_equal(modified,default)
assert geom_equal(default,
modified.substitute(np.arange(default.microstructure.max())+1+offset,
np.arange(default.microstructure.max())+1))
@pytest.mark.parametrize('axis_angle',[np.array([1,0,0,86.7]), np.array([0,1,0,90.4]), np.array([0,0,1,90]),
np.array([1,0,0,175]),np.array([0,-1,0,178]),np.array([0,0,1,180])])
@ -168,38 +194,35 @@ class TestGeom:
modified = default.copy()
for i in range(np.rint(360/axis_angle[3]).astype(int)):
modified.rotate(Rotation.from_axis_angle(axis_angle,degrees=True))
assert geom_equal(modified,default)
assert geom_equal(default,modified)
@pytest.mark.parametrize('Eulers',[[32.0,68.0,21.0],
[0.0,32.0,240.0]])
def test_rotate(self,default,update,reference_dir,Eulers):
modified = default.copy()
modified.rotate(Rotation.from_Eulers(Eulers,degrees=True))
modified = default.rotate(Rotation.from_Eulers(Eulers,degrees=True))
tag = f'Eulers={util.srepr(Eulers,"-")}'
reference = reference_dir/f'rotate_{tag}.geom'
if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference))
assert geom_equal(Geom.from_file(reference),
modified)
def test_canvas(self,default):
grid = default.grid
grid_add = np.random.randint(0,30,(3))
modified = default.copy()
modified.canvas(modified.grid + grid_add)
e = default.grid
assert np.all(modified.microstructure[:e[0],:e[1],:e[2]] == default.microstructure)
modified = default.canvas(grid + grid_add)
assert np.all(modified.microstructure[:grid[0],:grid[1],:grid[2]] == default.microstructure)
@pytest.mark.parametrize('center1,center2',[(np.random.random(3)*.5,np.random.random(3)),
(np.random.randint(4,8,(3)),np.random.randint(9,12,(3)))])
@pytest.mark.parametrize('diameter',[np.random.random(3)*.5,
np.random.randint(4,10,(3))])
np.random.randint(4,10,(3))])
def test_add_primitive(self,diameter,center1,center2):
"""Same volume fraction for periodic microstructures and different center."""
o = np.random.random(3)-.5
g = np.random.randint(8,32,(3))
s = np.random.random(3)+.5
G_1 = Geom(np.ones(g,'i'),s,o)
G_2 = Geom(np.ones(g,'i'),s,o)
G_1.add_primitive(diameter,center1,1)
G_2.add_primitive(diameter,center2,1)
G_1 = Geom(np.ones(g,'i'),s,o).add_primitive(diameter,center1,1)
G_2 = Geom(np.ones(g,'i'),s,o).add_primitive(diameter,center2,1)
assert np.count_nonzero(G_1.microstructure!=2) == np.count_nonzero(G_2.microstructure!=2)
@pytest.mark.parametrize('trigger',[[1],[]])
@ -218,8 +241,7 @@ class TestGeom:
if len(trigger) > 0:
m2[m==1] = 1
geom = Geom(m,np.random.rand(3))
geom.vicinity_offset(vicinity,offset,trigger=trigger)
geom = Geom(m,np.random.rand(3)).vicinity_offset(vicinity,offset,trigger=trigger)
assert np.all(m2==geom.microstructure)