223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

more f-stringing

This commit is contained in:
Philip Eisenlohr 2020-06-24 15:34:51 -04:00
parent 966b6f8007
commit 14d3b7e66d
15 changed files with 180 additions and 195 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

5
python/damask/_colormaps.py
View File

@ -1,4 +1,5 @@
import numpy as np import numpy as np
from . import util
class Color: class Color:
"""Color representation in and conversion between different color-spaces.""" """Color representation in and conversion between different color-spaces."""
@ -525,8 +526,8 @@ class Colormap:
colormap = [ f'1 1 {name}' colormap = [ f'1 1 {name}'
+ f' 9 {name}' + f' 9 {name}'
+ ' 0 1 0 3 0 0 -1 9 \\ 0 0 0 255 255 255 0 0 255 ' + ' 0 1 0 3 0 0 -1 9 \\ 0 0 0 255 255 255 0 0 255 '
+ '30 NO_UNIT 1 1 64 64 64 255 1 0 0 0 0 0 0 3 0 ' + str(len(colors)) + f'30 NO_UNIT 1 1 64 64 64 255 1 0 0 0 0 0 0 3 0 {len(colors)}'
+ ' '.join([' 0 {} 255 1'.format(' '.join([str(int(x*255.0)) for x in color])) for color in reversed(colors)])] + ' '.join([f' 0 {util.srepr((255*np.array(c)).astype(int)," ")} 255 1' for c in reversed(colors)])]
elif format == 'raw': elif format == 'raw':
colormap = ['\t'.join(map(str,color)) for color in colors] colormap = ['\t'.join(map(str,color)) for color in colors]

13
python/damask/_geom.py
View File

@ -257,11 +257,11 @@ class Geom:
def get_header(self): def get_header(self):
"""Return the full header (grid, size, origin, homogenization, comments).""" """Return the full header (grid, size, origin, homogenization, comments)."""
header = ['{} header'.format(len(self.comments)+4)] + self.comments header = [f'{len(self.comments)+4} header'] + self.comments
header.append('grid a {} b {} c {}'.format(*self.get_grid())) header.append('grid a {} b {} c {}'.format(*self.get_grid()))
header.append('size x {} y {} z {}'.format(*self.get_size())) header.append('size x {} y {} z {}'.format(*self.get_size()))
header.append('origin x {} y {} z {}'.format(*self.get_origin())) header.append('origin x {} y {} z {}'.format(*self.get_origin()))
header.append('homogenization {}'.format(self.get_homogenization())) header.append(f'homogenization {self.get_homogenization()}')
return header return header
@ -374,7 +374,6 @@ class Geom:
else: else:
microstructure = microstructure.reshape(grid) microstructure = microstructure.reshape(grid)
#comments = 'geom.py:from_Laguerre_tessellation v{}'.format(version)
return Geom(microstructure+1,size,homogenization=1) return Geom(microstructure+1,size,homogenization=1)
@ -399,7 +398,6 @@ class Geom:
KDTree = spatial.cKDTree(seeds,boxsize=size) if periodic else spatial.cKDTree(seeds) KDTree = spatial.cKDTree(seeds,boxsize=size) if periodic else spatial.cKDTree(seeds)
devNull,microstructure = KDTree.query(coords) devNull,microstructure = KDTree.query(coords)
#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)
@ -524,7 +522,6 @@ class Geom:
if 'x' in directions: if 'x' in directions:
ms = np.concatenate([ms,ms[limits[0]:limits[1]:-1,:,:]],0) ms = np.concatenate([ms,ms[limits[0]:limits[1]:-1,:,:]],0)
#self.add_comments('geom.py:mirror v{}'.format(version)
return self.update(ms,rescale=True) return self.update(ms,rescale=True)
@ -538,7 +535,6 @@ class Geom:
number of grid points in x,y,z direction. number of grid points in x,y,z direction.
""" """
#self.add_comments('geom.py:scale v{}'.format(version)
return self.update( return self.update(
ndimage.interpolation.zoom( ndimage.interpolation.zoom(
self.microstructure, self.microstructure,
@ -565,7 +561,6 @@ class Geom:
unique, inverse = np.unique(arr, return_inverse=True) unique, inverse = np.unique(arr, return_inverse=True)
return unique[np.argmax(np.bincount(inverse))] return unique[np.argmax(np.bincount(inverse))]
#self.add_comments('geom.py:clean v{}'.format(version)
return self.update(ndimage.filters.generic_filter( return self.update(ndimage.filters.generic_filter(
self.microstructure, self.microstructure,
mostFrequent, mostFrequent,
@ -580,7 +575,6 @@ class Geom:
for i, oldID in enumerate(np.unique(self.microstructure)): for i, oldID in enumerate(np.unique(self.microstructure)):
renumbered = np.where(self.microstructure == oldID, i+1, renumbered) renumbered = np.where(self.microstructure == oldID, i+1, renumbered)
#self.add_comments('geom.py:renumber v{}'.format(version)
return self.update(renumbered) return self.update(renumbered)
@ -615,7 +609,6 @@ class Geom:
origin = self.origin-(np.asarray(microstructure_in.shape)-self.grid)*.5 * self.size/self.grid origin = self.origin-(np.asarray(microstructure_in.shape)-self.grid)*.5 * self.size/self.grid
#self.add_comments('geom.py:rotate v{}'.format(version)
return self.update(microstructure_in,origin=origin,rescale=True) return self.update(microstructure_in,origin=origin,rescale=True)
@ -647,7 +640,6 @@ class Geom:
canvas[l[0]:r[0],l[1]:r[1],l[2]:r[2]] = self.microstructure[L[0]:R[0],L[1]:R[1],L[2]:R[2]] canvas[l[0]:r[0],l[1]:r[1],l[2]:r[2]] = self.microstructure[L[0]:R[0],L[1]:R[1],L[2]:R[2]]
#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.update(canvas,origin=self.origin+offset*self.size/self.grid,rescale=True)
@ -667,5 +659,4 @@ class Geom:
for from_ms,to_ms in zip(from_microstructure,to_microstructure): for from_ms,to_ms in zip(from_microstructure,to_microstructure):
substituted[self.microstructure==from_ms] = to_ms substituted[self.microstructure==from_ms] = to_ms
#self.add_comments('geom.py:substitute v{}'.format(version)
return self.update(substituted) return self.update(substituted)

12
python/damask/_lattice.py
View File

@ -26,7 +26,7 @@ class Symmetry:
""" """
if symmetry is not None and symmetry.lower() not in Symmetry.lattices: if symmetry is not None and symmetry.lower() not in Symmetry.lattices:
raise KeyError('Symmetry/crystal system "{}" is unknown'.format(symmetry)) raise KeyError(f'Symmetry/crystal system "{symmetry}" is unknown')
self.lattice = symmetry.lower() if isinstance(symmetry,str) else symmetry self.lattice = symmetry.lower() if isinstance(symmetry,str) else symmetry
@ -40,7 +40,7 @@ class Symmetry:
def __repr__(self): def __repr__(self):
"""Readable string.""" """Readable string."""
return '{}'.format(self.lattice) return f'{self.lattice}'
def __eq__(self, other): def __eq__(self, other):
@ -348,7 +348,7 @@ class Lattice:
def __repr__(self): def __repr__(self):
"""Report basic lattice information.""" """Report basic lattice information."""
return 'Bravais lattice {} ({} symmetry)'.format(self.lattice,self.symmetry) return f'Bravais lattice {self.lattice} ({self.symmetry} symmetry)'
# Kurdjomov--Sachs orientation relationship for fcc <-> bcc transformation # Kurdjomov--Sachs orientation relationship for fcc <-> bcc transformation
@ -613,17 +613,17 @@ class Lattice:
try: try:
relationship = models[model] relationship = models[model]
except KeyError : except KeyError :
raise KeyError('Orientation relationship "{}" is unknown'.format(model)) raise KeyError(f'Orientation relationship "{model}" is unknown')
if self.lattice not in relationship['mapping']: if self.lattice not in relationship['mapping']:
raise ValueError('Relationship "{}" not supported for lattice "{}"'.format(model,self.lattice)) raise ValueError(f'Relationship "{model}" not supported for lattice "{self.lattice}"')
r = {'lattice':Lattice((set(relationship['mapping'])-{self.lattice}).pop()), # target lattice r = {'lattice':Lattice((set(relationship['mapping'])-{self.lattice}).pop()), # target lattice
'rotations':[] } 'rotations':[] }
myPlane_id = relationship['mapping'][self.lattice] myPlane_id = relationship['mapping'][self.lattice]
otherPlane_id = (myPlane_id+1)%2 otherPlane_id = (myPlane_id+1)%2
myDir_id = myPlane_id +2 myDir_id = myPlane_id +2
otherDir_id = otherPlane_id +2 otherDir_id = otherPlane_id +2
for miller in np.hstack((relationship['planes'],relationship['directions'])): for miller in np.hstack((relationship['planes'],relationship['directions'])):

113
python/damask/_result.py
View File

@ -50,8 +50,7 @@ class Result:
self.version_minor = f.attrs['DADF5-minor'] self.version_minor = f.attrs['DADF5-minor']
if self.version_major != 0 or not 2 <= self.version_minor <= 6: if self.version_major != 0 or not 2 <= self.version_minor <= 6:
raise TypeError('Unsupported DADF5 version {}.{} '.format(self.version_major, raise TypeError(f'Unsupported DADF5 version {self.version_major}.{self.version_minor}')
self.version_minor))
self.structured = 'grid' in f['geometry'].attrs.keys() self.structured = 'grid' in f['geometry'].attrs.keys()
@ -107,7 +106,7 @@ class Result:
self.pick('increments',all_selected_increments) self.pick('increments',all_selected_increments)
in_between = '' if len(all_selected_increments) < 3 else \ in_between = '' if len(all_selected_increments) < 3 else \
''.join(['\n{}\n ...\n'.format(inc) for inc in all_selected_increments[1:-2]]) ''.join([f'\n{inc}\n ...\n' for inc in all_selected_increments[1:-2]])
return util.srepr(first + in_between + last) return util.srepr(first + in_between + last)
@ -137,7 +136,7 @@ class Result:
if what == 'increments': if what == 'increments':
choice = [c if isinstance(c,str) and c.startswith('inc') else choice = [c if isinstance(c,str) and c.startswith('inc') else
'inc{}'.format(c) for c in choice] f'inc{c}' for c in choice]
elif what == 'times': elif what == 'times':
what = 'increments' what = 'increments'
if choice == ['*']: if choice == ['*']:
@ -268,7 +267,7 @@ class Result:
def rename(self,name_old,name_new): def rename(self,name_old,name_new):
""" """
Rename datasets. Rename datasets.
Parameters Parameters
---------- ----------
name_old : str name_old : str
@ -412,21 +411,19 @@ class Result:
message = '' message = ''
with h5py.File(self.fname,'r') as f: with h5py.File(self.fname,'r') as f:
for i in self.iterate('increments'): for i in self.iterate('increments'):
message += '\n{} ({}s)\n'.format(i,self.times[self.increments.index(i)]) message += f'\n{i} ({self.times[self.increments.index(i)]}s)\n'
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']): for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
for oo in self.iterate(o): for oo in self.iterate(o):
message += ' {}\n'.format(oo) message += f' {oo}\n'
for pp in self.iterate(p): for pp in self.iterate(p):
message += ' {}\n'.format(pp) message += f' {pp}\n'
group = '/'.join([i,o[:-1],oo,pp]) # o[:-1]: plural/singular issue group = '/'.join([i,o[:-1],oo,pp]) # o[:-1]: plural/singular issue
for d in f[group].keys(): for d in f[group].keys():
try: try:
dataset = f['/'.join([group,d])] dataset = f['/'.join([group,d])]
unit = f" / {dataset.attrs['Unit'].decode()}" if 'Unit' in dataset.attrs else ''
description = dataset.attrs['Description'].decode() description = dataset.attrs['Description'].decode()
if 'Unit' in dataset.attrs: message += f' {d}{unit}: {description}\n'
message += ' {} / ({}): {}\n'.format(d,dataset.attrs['Unit'].decode(),description)
else:
message += ' {}: {}\n'.format(d,description)
except KeyError: except KeyError:
pass pass
return message return message
@ -528,10 +525,10 @@ class Result:
def _add_absolute(x): def _add_absolute(x):
return { return {
'data': np.abs(x['data']), 'data': np.abs(x['data']),
'label': '|{}|'.format(x['label']), 'label': f'|{x["label"]}|',
'meta': { 'meta': {
'Unit': x['meta']['Unit'], 'Unit': x['meta']['Unit'],
'Description': 'Absolute value of {} ({})'.format(x['label'],x['meta']['Description']), 'Description': f"Absolute value of {x['label']} ({x['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -552,14 +549,14 @@ class Result:
def _add_calculation(**kwargs): def _add_calculation(**kwargs):
formula = kwargs['formula'] formula = kwargs['formula']
for d in re.findall(r'#(.*?)#',formula): for d in re.findall(r'#(.*?)#',formula):
formula = formula.replace('#{}#'.format(d),"kwargs['{}']['data']".format(d)) formula = formula.replace(f'#{d}#',f"kwargs['{d}']['data']")
return { return {
'data': eval(formula), 'data': eval(formula),
'label': kwargs['label'], 'label': kwargs['label'],
'meta': { 'meta': {
'Unit': kwargs['unit'], 'Unit': kwargs['unit'],
'Description': '{} (formula: {})'.format(kwargs['description'],kwargs['formula']), 'Description': f"{kwargs['description']} (formula: {kwargs['formula']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -596,8 +593,9 @@ class Result:
'label': 'sigma', 'label': 'sigma',
'meta': { 'meta': {
'Unit': P['meta']['Unit'], 'Unit': P['meta']['Unit'],
'Description': 'Cauchy stress calculated from {} ({}) and {} ({})'\ 'Description': "Cauchy stress calculated "
.format(P['label'],P['meta']['Description'],F['label'],F['meta']['Description']), f"from {P['label']} ({P['meta']['Description']})"
f" and {F['label']} ({F['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -620,10 +618,10 @@ class Result:
def _add_determinant(T): def _add_determinant(T):
return { return {
'data': np.linalg.det(T['data']), 'data': np.linalg.det(T['data']),
'label': 'det({})'.format(T['label']), 'label': f"det({T['label']})",
'meta': { 'meta': {
'Unit': T['meta']['Unit'], 'Unit': T['meta']['Unit'],
'Description': 'Determinant of tensor {} ({})'.format(T['label'],T['meta']['Description']), 'Description': f"Determinant of tensor {T['label']} ({T['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -644,10 +642,10 @@ class Result:
def _add_deviator(T): def _add_deviator(T):
return { return {
'data': mechanics.deviatoric_part(T['data']), 'data': mechanics.deviatoric_part(T['data']),
'label': 's_{}'.format(T['label']), 'label': f"s_{T['label']}",
'meta': { 'meta': {
'Unit': T['meta']['Unit'], 'Unit': T['meta']['Unit'],
'Description': 'Deviator of tensor {} ({})'.format(T['label'],T['meta']['Description']), 'Description': f"Deviator of tensor {T['label']} ({T['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -675,10 +673,10 @@ class Result:
return { return {
'data': mechanics.eigenvalues(T_sym['data'])[:,p], 'data': mechanics.eigenvalues(T_sym['data'])[:,p],
'label': 'lambda_{}({})'.format(eigenvalue,T_sym['label']), 'label': f"lambda_{eigenvalue}({T_sym['label']})",
'meta' : { 'meta' : {
'Unit': T_sym['meta']['Unit'], 'Unit': T_sym['meta']['Unit'],
'Description': '{} eigenvalue of {} ({})'.format(label,T_sym['label'],T_sym['meta']['Description']), 'Description': f"{label} eigenvalue of {T_sym['label']} ({T_sym['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -708,14 +706,14 @@ class Result:
print('p',eigenvalue) print('p',eigenvalue)
return { return {
'data': mechanics.eigenvectors(T_sym['data'])[:,p], 'data': mechanics.eigenvectors(T_sym['data'])[:,p],
'label': 'v_{}({})'.format(eigenvalue,T_sym['label']), 'label': f"v_{eigenvalue}({T_sym['label']})",
'meta' : { 'meta' : {
'Unit': '1', 'Unit': '1',
'Description': 'Eigenvector corresponding to {} eigenvalue of {} ({})'\ 'Description': f"Eigenvector corresponding to {label} eigenvalue"
.format(label,T_sym['label'],T_sym['meta']['Description']), f" of {T_sym['label']} ({T_sym['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
def add_eigenvector(self,T_sym,eigenvalue='max'): def add_eigenvector(self,T_sym,eigenvalue='max'):
""" """
Add eigenvector of symmetric tensor. Add eigenvector of symmetric tensor.
@ -774,10 +772,10 @@ class Result:
def _add_maximum_shear(T_sym): def _add_maximum_shear(T_sym):
return { return {
'data': mechanics.maximum_shear(T_sym['data']), 'data': mechanics.maximum_shear(T_sym['data']),
'label': 'max_shear({})'.format(T_sym['label']), 'label': f"max_shear({T_sym['label']})",
'meta': { 'meta': {
'Unit': T_sym['meta']['Unit'], 'Unit': T_sym['meta']['Unit'],
'Description': 'Maximum shear component of {} ({})'.format(T_sym['label'],T_sym['meta']['Description']), 'Description': f"Maximum shear component of {T_sym['label']} ({T_sym['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -800,11 +798,11 @@ class Result:
'stress' 'stress'
return { return {
'data': mechanics.Mises_strain(T_sym['data']) if t=='strain' else mechanics.Mises_stress(T_sym['data']), 'data': (mechanics.Mises_strain if t=='strain' else mechanics.Mises_stress)(T_sym['data']),
'label': '{}_vM'.format(T_sym['label']), 'label': f"{T_sym['label']}_vM",
'meta': { 'meta': {
'Unit': T_sym['meta']['Unit'], 'Unit': T_sym['meta']['Unit'],
'Description': 'Mises equivalent {} of {} ({})'.format(t,T_sym['label'],T_sym['meta']['Description']), 'Description': f"Mises equivalent {t} of {T_sym['label']} ({T_sym['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -837,10 +835,10 @@ class Result:
return { return {
'data': np.linalg.norm(x['data'],ord=o,axis=axis,keepdims=True), 'data': np.linalg.norm(x['data'],ord=o,axis=axis,keepdims=True),
'label': '|{}|_{}'.format(x['label'],o), 'label': f"|{x['label']}|_{o}",
'meta': { 'meta': {
'Unit': x['meta']['Unit'], 'Unit': x['meta']['Unit'],
'Description': '{}-norm of {} {} ({})'.format(o,t,x['label'],x['meta']['Description']), 'Description': f"{o}-norm of {t} {x['label']} ({x['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -866,19 +864,20 @@ class Result:
'label': 'S', 'label': 'S',
'meta': { 'meta': {
'Unit': P['meta']['Unit'], 'Unit': P['meta']['Unit'],
'Description': '2. Piola-Kirchhoff stress calculated from {} ({}) and {} ({})'\ 'Description': "2. Piola-Kirchhoff stress calculated "
.format(P['label'],P['meta']['Description'],F['label'],F['meta']['Description']), f"from {P['label']} ({P['meta']['Description']})"
f" and {F['label']} ({F['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
def add_PK2(self,P='P',F='F'): def add_PK2(self,P='P',F='F'):
""" """
Add second Piola-Kirchhoff calculated from first Piola-Kirchhoff stress and deformation gradient. Add second Piola-Kirchhoff stress calculated from first Piola-Kirchhoff stress and deformation gradient.
Parameters Parameters
---------- ----------
P : str, optional P : str, optional
Label first Piola-Kirchhoff stress dataset. Defaults to ‘P’. Label of first Piola-Kirchhoff stress dataset. Defaults to ‘P’.
F : str, optional F : str, optional
Label of deformation gradient dataset. Defaults to ‘F’. Label of deformation gradient dataset. Defaults to ‘F’.
@ -928,10 +927,10 @@ class Result:
def _add_rotational_part(F): def _add_rotational_part(F):
return { return {
'data': mechanics.rotational_part(F['data']), 'data': mechanics.rotational_part(F['data']),
'label': 'R({})'.format(F['label']), 'label': f"R({F['label']})",
'meta': { 'meta': {
'Unit': F['meta']['Unit'], 'Unit': F['meta']['Unit'],
'Description': 'Rotational part of {} ({})'.format(F['label'],F['meta']['Description']), 'Description': f"Rotational part of {F['label']} ({F['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -952,10 +951,10 @@ class Result:
def _add_spherical(T): def _add_spherical(T):
return { return {
'data': mechanics.spherical_part(T['data']), 'data': mechanics.spherical_part(T['data']),
'label': 'p_{}'.format(T['label']), 'label': f"p_{T['label']}",
'meta': { 'meta': {
'Unit': T['meta']['Unit'], 'Unit': T['meta']['Unit'],
'Description': 'Spherical component of tensor {} ({})'.format(T['label'],T['meta']['Description']), 'Description': f"Spherical component of tensor {T['label']} ({T['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -976,10 +975,10 @@ class Result:
def _add_strain_tensor(F,t,m): def _add_strain_tensor(F,t,m):
return { return {
'data': mechanics.strain_tensor(F['data'],t,m), 'data': mechanics.strain_tensor(F['data'],t,m),
'label': 'epsilon_{}^{}({})'.format(t,m,F['label']), 'label': f"epsilon_{t}^{m}({F['label']})",
'meta': { 'meta': {
'Unit': F['meta']['Unit'], 'Unit': F['meta']['Unit'],
'Description': 'Strain tensor of {} ({})'.format(F['label'],F['meta']['Description']), 'Description': f"Strain tensor of {F['label']} ({F['meta']['Description']})",
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
} }
@ -1006,11 +1005,11 @@ class Result:
@staticmethod @staticmethod
def _add_stretch_tensor(F,t): def _add_stretch_tensor(F,t):
return { return {
'data': mechanics.left_stretch(F['data']) if t == 'V' else mechanics.right_stretch(F['data']), 'data': (mechanics.left_stretch if t.upper() == 'V' else mechanics.right_stretch)(F['data']),
'label': '{}({})'.format(t,F['label']), 'label': f"{t}({F['label']})",
'meta': { 'meta': {
'Unit': F['meta']['Unit'], 'Unit': F['meta']['Unit'],
'Description': '{} stretch tensor of {} ({})'.format('Left' if t == 'V' else 'Right', 'Description': '{} stretch tensor of {} ({})'.format('Left' if t.upper() == 'V' else 'Right',
F['label'],F['meta']['Description']), F['label'],F['meta']['Description']),
'Creator': inspect.stack()[0][3][1:] 'Creator': inspect.stack()[0][3][1:]
} }
@ -1046,7 +1045,7 @@ class Result:
r = func(**datasets_in,**args) r = func(**datasets_in,**args)
return [group,r] return [group,r]
except Exception as err: except Exception as err:
print('Error during calculation: {}.'.format(err)) print(f'Error during calculation: {err}.')
return None return None
@ -1091,11 +1090,11 @@ class Result:
for l,v in result[1]['meta'].items(): for l,v in result[1]['meta'].items():
dataset.attrs[l]=v.encode() dataset.attrs[l]=v.encode()
creator = 'damask.Result.{} v{}'.format(dataset.attrs['Creator'].decode(),version) creator = f"damask.Result.{dataset.attrs['Creator'].decode()} v{version}"
dataset.attrs['Creator'] = creator.encode() dataset.attrs['Creator'] = creator.encode()
except (OSError,RuntimeError) as err: except (OSError,RuntimeError) as err:
print('Could not add dataset: {}.'.format(err)) print(f'Could not add dataset: {err}.')
lock.release() lock.release()
pool.close() pool.close()
@ -1128,7 +1127,7 @@ class Result:
time_data = ET.SubElement(time, 'DataItem') time_data = ET.SubElement(time, 'DataItem')
time_data.attrib={'Format': 'XML', time_data.attrib={'Format': 'XML',
'NumberType': 'Float', 'NumberType': 'Float',
'Dimensions': '{}'.format(len(self.times))} 'Dimensions': f'{len(self.times)}'}
time_data.text = ' '.join(map(str,self.times)) time_data.text = ' '.join(map(str,self.times))
attributes = [] attributes = []
@ -1169,7 +1168,7 @@ class Result:
data_items[-1].attrib={'Format': 'HDF', data_items[-1].attrib={'Format': 'HDF',
'Precision': '8', 'Precision': '8',
'Dimensions': '{} {} {} 3'.format(*(self.grid+1))} 'Dimensions': '{} {} {} 3'.format(*(self.grid+1))}
data_items[-1].text='{}:/{}/geometry/u_n'.format(os.path.split(self.fname)[1],inc) data_items[-1].text=f'{os.path.split(self.fname)[1]}:/{inc}/geometry/u_n'
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']): for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
for oo in getattr(self,o): for oo in getattr(self,o):
@ -1184,15 +1183,15 @@ class Result:
if (shape not in [(1,), (3,), (3,3)]) or dtype != np.float64: continue if (shape not in [(1,), (3,), (3,3)]) or dtype != np.float64: continue
attributes.append(ET.SubElement(grid, 'Attribute')) attributes.append(ET.SubElement(grid, 'Attribute'))
attributes[-1].attrib={'Name': '{}'.format(name.split('/',2)[2]), attributes[-1].attrib={'Name': name.split('/',2)[2],
'Center': 'Cell', 'Center': 'Cell',
'AttributeType': 'Tensor'} 'AttributeType': 'Tensor'}
data_items.append(ET.SubElement(attributes[-1], 'DataItem')) data_items.append(ET.SubElement(attributes[-1], 'DataItem'))
data_items[-1].attrib={'Format': 'HDF', data_items[-1].attrib={'Format': 'HDF',
'NumberType': 'Float', 'NumberType': 'Float',
'Precision': '{}'.format(prec), 'Precision': f'{prec}',
'Dimensions': '{} {} {} {}'.format(*self.grid,np.prod(shape))} 'Dimensions': '{} {} {} {}'.format(*self.grid,np.prod(shape))}
data_items[-1].text='{}:{}'.format(os.path.split(self.fname)[1],name) data_items[-1].text=f'{os.path.split(self.fname)[1]}:{name}'
with open(self.fname.with_suffix('.xdmf').name,'w') as f: with open(self.fname.with_suffix('.xdmf').name,'w') as f:
f.write(xml.dom.minidom.parseString(ET.tostring(xdmf).decode()).toprettyxml()) f.write(xml.dom.minidom.parseString(ET.tostring(xdmf).decode()).toprettyxml())
@ -1270,4 +1269,4 @@ class Result:
u = self.read_dataset(self.get_dataset_location('u_n' if mode.lower() == 'cell' else 'u_p')) u = self.read_dataset(self.get_dataset_location('u_n' if mode.lower() == 'cell' else 'u_p'))
v.add(u,'u') v.add(u,'u')
v.write('{}_inc{}'.format(self.fname.stem,inc[3:].zfill(N_digits))) v.write(f'{self.fname.stem}_inc{inc[3:].zfill(N_digits)}')

2
python/damask/_table.py
View File

@ -136,7 +136,7 @@ class Table:
content = f.readlines() content = f.readlines()
comments = [f'table.py:from_ang v {version}'] comments = [f'table.py:from_ang v{version}']
for line in content: for line in content:
if line.startswith('#'): if line.startswith('#'):
comments.append(line.strip()) comments.append(line.strip())

78
python/damask/_test.py
View File

@ -53,7 +53,7 @@ class Test:
self.dirBase = os.path.dirname(os.path.realpath(sys.modules[self.__class__.__module__].__file__)) self.dirBase = os.path.dirname(os.path.realpath(sys.modules[self.__class__.__module__].__file__))
self.parser = OptionParser(option_class=damask.extendableOption, self.parser = OptionParser(option_class=damask.extendableOption,
description = '{} (Test class version: {})'.format(self.description,damask.version), description = f'{self.description} (Test class version: {damask.version})',
usage = './test.py [options]') usage = './test.py [options]')
self.parser.add_option("-k", "--keep", self.parser.add_option("-k", "--keep",
action = "store_true", action = "store_true",
@ -93,7 +93,7 @@ class Test:
for variant,object in enumerate(self.variants): for variant,object in enumerate(self.variants):
name = self.variantName(variant) name = self.variantName(variant)
if self.options.show: if self.options.show:
logging.critical('{}: {}'.format(variant+1,name)) logging.critical(f'{variant+1}: {name}')
elif self.options.select is not None \ elif self.options.select is not None \
and not (name in self.options.select or str(variant+1) in self.options.select): and not (name in self.options.select or str(variant+1) in self.options.select):
pass pass
@ -106,12 +106,12 @@ class Test:
self.postprocess(variant) self.postprocess(variant)
if self.options.update: if self.options.update:
if self.update(variant) != 0: logging.critical('update for "{}" failed.'.format(name)) if self.update(variant) != 0: logging.critical(f'update for "{name}" failed.')
elif not (self.options.accept or self.compare(variant)): # no update, do comparison elif not (self.options.accept or self.compare(variant)): # no update, do comparison
return variant+1 # return culprit return variant+1 # return culprit
except Exception as e: except Exception as e:
logging.critical('exception during variant execution: "{}"'.format(str(e))) logging.critical(f'exception during variant execution: "{e}"')
return variant+1 # return culprit return variant+1 # return culprit
return 0 return 0
@ -124,13 +124,13 @@ class Test:
try: try:
shutil.rmtree(self.dirCurrent()) shutil.rmtree(self.dirCurrent())
except FileNotFoundError: except FileNotFoundError:
logging.warning('removal of directory "{}" not possible...'.format(self.dirCurrent())) logging.warning(f'removal of directory "{self.dirCurrent()}" not possible...')
try: try:
os.mkdir(self.dirCurrent()) os.mkdir(self.dirCurrent())
return True return True
except FileExistsError: except FileExistsError:
logging.critical('creation of directory "{}" failed.'.format(self.dirCurrent())) logging.critical(f'creation of directory "{self.dirCurrent()}" failed.')
return False return False
def prepareAll(self): def prepareAll(self):
@ -211,7 +211,7 @@ class Test:
try: try:
shutil.copy2(source,target) shutil.copy2(source,target)
except FileNotFoundError: except FileNotFoundError:
logging.critical('error copying {} to {}'.format(source,target)) logging.critical(f'error copying {source} to {target}')
raise FileNotFoundError raise FileNotFoundError
@ -222,7 +222,7 @@ class Test:
try: try:
shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i])) shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i]))
except FileNotFoundError: except FileNotFoundError:
logging.critical('Reference2Current: Unable to copy file "{}"'.format(f)) logging.critical(f'Reference2Current: Unable to copy file "{f}"')
raise FileNotFoundError raise FileNotFoundError
@ -235,7 +235,7 @@ class Test:
shutil.copy2(os.path.join(source,f),self.fileInCurrent(targetfiles[i])) shutil.copy2(os.path.join(source,f),self.fileInCurrent(targetfiles[i]))
except FileNotFoundError: except FileNotFoundError:
logging.error(os.path.join(source,f)) logging.error(os.path.join(source,f))
logging.critical('Base2Current: Unable to copy file "{}"'.format(f)) logging.critical(f'Base2Current: Unable to copy file "{f}"')
raise FileNotFoundError raise FileNotFoundError
@ -246,7 +246,7 @@ class Test:
try: try:
shutil.copy2(self.fileInCurrent(f),self.fileInReference(targetfiles[i])) shutil.copy2(self.fileInCurrent(f),self.fileInReference(targetfiles[i]))
except FileNotFoundError: except FileNotFoundError:
logging.critical('Current2Reference: Unable to copy file "{}"'.format(f)) logging.critical(f'Current2Reference: Unable to copy file "{f}"')
raise FileNotFoundError raise FileNotFoundError
@ -257,7 +257,7 @@ class Test:
try: try:
shutil.copy2(self.fileInProof(f),self.fileInCurrent(targetfiles[i])) shutil.copy2(self.fileInProof(f),self.fileInCurrent(targetfiles[i]))
except FileNotFoundError: except FileNotFoundError:
logging.critical('Proof2Current: Unable to copy file "{}"'.format(f)) logging.critical(f'Proof2Current: Unable to copy file "{f}"')
raise FileNotFoundError raise FileNotFoundError
@ -267,7 +267,7 @@ class Test:
try: try:
shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i])) shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i]))
except FileNotFoundError: except FileNotFoundError:
logging.critical('Current2Current: Unable to copy file "{}"'.format(f)) logging.critical(f'Current2Current: Unable to copy file "{f}"')
raise FileNotFoundError raise FileNotFoundError
@ -302,9 +302,7 @@ class Test:
max_loc=np.argmax(abs(refArrayNonZero[curArray.nonzero()]/curArray[curArray.nonzero()]-1.)) max_loc=np.argmax(abs(refArrayNonZero[curArray.nonzero()]/curArray[curArray.nonzero()]-1.))
refArrayNonZero = refArrayNonZero[curArray.nonzero()] refArrayNonZero = refArrayNonZero[curArray.nonzero()]
curArray = curArray[curArray.nonzero()] curArray = curArray[curArray.nonzero()]
print(' ********\n * maximum relative error {} between {} and {}\n ********'.format(max_err, print(f' ********\n * maximum relative error {max_err} between {refArrayNonZero[max_loc]} and {curArray[max_loc]}\n ********')
refArrayNonZero[max_loc],
curArray[max_loc]))
return max_err return max_err
else: else:
raise Exception('mismatch in array size to compare') raise Exception('mismatch in array size to compare')
@ -350,7 +348,7 @@ class Test:
for i in range(dataLength): for i in range(dataLength):
if headings0[i]['shape'] != headings1[i]['shape']: if headings0[i]['shape'] != headings1[i]['shape']:
raise Exception('shape mismatch between {} and {} '.format(headings0[i]['label'],headings1[i]['label'])) raise Exception(f"shape mismatch between {headings0[i]['label']} and {headings1[i]['label']}")
shape[i] = headings0[i]['shape'] shape[i] = headings0[i]['shape']
for j in range(np.shape(shape[i])[0]): for j in range(np.shape(shape[i])[0]):
length[i] *= shape[i][j] length[i] *= shape[i][j]
@ -358,9 +356,7 @@ class Test:
for j in range(np.shape(normShape[i])[0]): for j in range(np.shape(normShape[i])[0]):
normLength[i] *= normShape[i][j] normLength[i] *= normShape[i][j]
else: else:
raise Exception('trying to compare {} with {} normed by {} data sets'.format(len(headings0), raise Exception(f'trying to compare {len(headings0)} with {len(headings1)} normed by {len(normHeadings)} data sets')
len(headings1),
len(normHeadings)))
table0 = damask.ASCIItable(name=file0,readonly=True) table0 = damask.ASCIItable(name=file0,readonly=True)
table0.head_read() table0.head_read()
@ -372,11 +368,11 @@ class Test:
key1 = ('1_' if length[i]>1 else '') + headings1[i]['label'] key1 = ('1_' if length[i]>1 else '') + headings1[i]['label']
normKey = ('1_' if normLength[i]>1 else '') + normHeadings[i]['label'] normKey = ('1_' if normLength[i]>1 else '') + normHeadings[i]['label']
if key0 not in table0.labels(raw = True): if key0 not in table0.labels(raw = True):
raise Exception('column "{}" not found in first table...\n'.format(key0)) raise Exception(f'column "{key0}" not found in first table...')
elif key1 not in table1.labels(raw = True): elif key1 not in table1.labels(raw = True):
raise Exception('column "{}" not found in second table...\n'.format(key1)) raise Exception(f'column "{key1}" not found in second table...')
elif normKey not in table0.labels(raw = True): elif normKey not in table0.labels(raw = True):
raise Exception('column "{}" not found in first table...\n'.format(normKey)) raise Exception(f'column "{normKey}" not found in first table...')
else: else:
column[0][i] = table0.label_index(key0) column[0][i] = table0.label_index(key0)
column[1][i] = table1.label_index(key1) column[1][i] = table1.label_index(key1)
@ -404,9 +400,9 @@ class Test:
norm[i] = [1.0 for j in range(line0-len(skipLines))] norm[i] = [1.0 for j in range(line0-len(skipLines))]
absTol[i] = True absTol[i] = True
if perLine: if perLine:
logging.warning('At least one norm of "{}" in first table is 0.0, using absolute tolerance'.format(headings0[i]['label'])) logging.warning(f"At least one norm of \"{headings0[i]['label']}\" in first table is 0.0, using absolute tolerance")
else: else:
logging.warning('Maximum norm of "{}" in first table is 0.0, using absolute tolerance'.format(headings0[i]['label'])) logging.warning(f"Maximum norm of \"{headings0[i]['label']}\" in first table is 0.0, using absolute tolerance")
line1 = 0 line1 = 0
while table1.data_read(): # read next data line of ASCII table while table1.data_read(): # read next data line of ASCII table
@ -418,18 +414,14 @@ class Test:
norm[i][line1-len(skipLines)]) norm[i][line1-len(skipLines)])
line1 +=1 line1 +=1
if (line0 != line1): raise Exception('found {} lines in first table but {} in second table'.format(line0,line1)) if (line0 != line1): raise Exception(f'found {line0} lines in first table but {line1} in second table')
logging.info(' ********') logging.info(' ********')
for i in range(dataLength): for i in range(dataLength):
if absTol[i]: if absTol[i]:
logging.info(' * maximum absolute error {} between {} and {}'.format(maxError[i], logging.info(f" * maximum absolute error {maxError[i]} between {headings0[i]['label']} and {headings1[i]['label']}")
headings0[i]['label'],
headings1[i]['label']))
else: else:
logging.info(' * maximum relative error {} between {} and {}'.format(maxError[i], logging.info(f" * maximum relative error {maxError[i]} between {headings0[i]['label']} and {headings1[i]['label']}")
headings0[i]['label'],
headings1[i]['label']))
logging.info(' ********') logging.info(' ********')
return maxError return maxError
@ -480,8 +472,8 @@ class Test:
normedDelta = np.where(normBy>preFilter,delta/normBy,0.0) normedDelta = np.where(normBy>preFilter,delta/normBy,0.0)
mean = np.amax(np.abs(np.mean(normedDelta,0))) mean = np.amax(np.abs(np.mean(normedDelta,0)))
std = np.amax(np.std(normedDelta,0)) std = np.amax(np.std(normedDelta,0))
logging.info('mean: {:f}'.format(mean)) logging.info(f'mean: {mean:f}')
logging.info('std: {:f}'.format(std)) logging.info(f'std: {std:f}')
return (mean<meanTol) & (std < stdTol) return (mean<meanTol) & (std < stdTol)
@ -521,7 +513,7 @@ class Test:
for i,(table,labels) in enumerate(zip(tables,columns)): for i,(table,labels) in enumerate(zip(tables,columns)):
if np.any(dimensions != [np.prod(table.shapes[c]) for c in labels]): # check data object consistency if np.any(dimensions != [np.prod(table.shapes[c]) for c in labels]): # check data object consistency
logging.critical('Table {} differs in data layout.'.format(files[i])) logging.critical(f'Table {files[i]} differs in data layout.')
return False return False
data.append(np.hstack(list(table.get(label) for label in labels)).astype(np.float)) # store data.append(np.hstack(list(table.get(label) for label in labels)).astype(np.float)) # store
@ -537,19 +529,19 @@ class Test:
for i in range(len(data)): for i in range(len(data)):
data[i] /= maximum # normalize each table data[i] /= maximum # normalize each table
logging.info('shape of data {}: {}'.format(i,data[i].shape)) logging.info(f'shape of data {i}: {data[i].shape}')
if debug: if debug:
violators = np.absolute(data[0]-data[1]) > atol + rtol*np.absolute(data[1]) violators = np.absolute(data[0]-data[1]) > atol + rtol*np.absolute(data[1])
logging.info('shape of violators: {}'.format(violators.shape)) logging.info(f'shape of violators: {violators.shape}')
for j,culprits in enumerate(violators): for j,culprits in enumerate(violators):
goodguys = np.logical_not(culprits) goodguys = np.logical_not(culprits)
if culprits.any(): if culprits.any():
logging.info('{} has {}'.format(j,np.sum(culprits))) logging.info(f'{j} has {np.sum(culprits)}')
logging.info('deviation: {}'.format(np.absolute(data[0][j]-data[1][j])[culprits])) logging.info(f'deviation: {np.absolute(data[0][j]-data[1][j])[culprits]}')
logging.info('data : {}'.format(np.absolute(data[1][j])[culprits])) logging.info(f'data : {np.absolute(data[1][j])[culprits]}')
logging.info('deviation: {}'.format(np.absolute(data[0][j]-data[1][j])[goodguys])) logging.info(f'deviation: {np.absolute(data[0][j]-data[1][j])[goodguys]}')
logging.info('data : {}'.format(np.absolute(data[1][j])[goodguys])) logging.info(f'data : {np.absolute(data[1][j])[goodguys]}')
allclose = True # start optimistic allclose = True # start optimistic
for i in range(1,len(data)): for i in range(1,len(data)):
@ -588,12 +580,12 @@ class Test:
if culprit == 0: if culprit == 0:
count = len(self.variants) if self.options.select is None else len(self.options.select) count = len(self.variants) if self.options.select is None else len(self.options.select)
msg = 'Test passed.' if count == 1 else 'All {} tests passed.'.format(count) msg = 'Test passed.' if count == 1 else f'All {count} tests passed.'
elif culprit == -1: elif culprit == -1:
msg = 'Warning: could not start test...' msg = 'Warning: could not start test...'
ret = 0 ret = 0
else: else:
msg = 'Test "{}" failed.'.format(self.variantName(culprit-1)) msg = f'Test "{self.variantName(culprit-1)}" failed.'
logging.critical('\n'.join(['*'*40,msg,'*'*40]) + '\n') logging.critical('\n'.join(['*'*40,msg,'*'*40]) + '\n')
return ret return ret

91
python/damask/config/material.py
View File

@ -1,6 +1,7 @@
import re import re
import os import os
from damask import util
class Section(): class Section():
def __init__(self,data = {'__order__':[]},part = ''): def __init__(self,data = {'__order__':[]},part = ''):
@ -27,7 +28,7 @@ class Section():
if multiKey not in self.parameters: self.parameters[multiKey] = [] if multiKey not in self.parameters: self.parameters[multiKey] = []
if multiKey not in self.parameters['__order__']: self.parameters['__order__'] += [multiKey] if multiKey not in self.parameters['__order__']: self.parameters['__order__'] += [multiKey]
self.parameters[multiKey] += [[item] for item in data] if isinstance(data, list) else [[data]] self.parameters[multiKey] += [[item] for item in data] if isinstance(data, list) else [[data]]
def data(self): def data(self):
return self.parameters return self.parameters
@ -42,27 +43,27 @@ class Crystallite(Section):
def __init__(self,data = {'__order__':[]}): def __init__(self,data = {'__order__':[]}):
"""New material.config <crystallite> section.""" """New material.config <crystallite> section."""
Section.__init__(self,data) Section.__init__(self,data)
class Phase(Section): class Phase(Section):
def __init__(self,data = {'__order__':[]}): def __init__(self,data = {'__order__':[]}):
"""New material.config <Phase> section.""" """New material.config <Phase> section."""
Section.__init__(self,data) Section.__init__(self,data)
class Microstructure(Section): class Microstructure(Section):
def __init__(self,data = {'__order__':[]}): def __init__(self,data = {'__order__':[]}):
"""New material.config <microstructure> section.""" """New material.config <microstructure> section."""
Section.__init__(self,data) Section.__init__(self,data)
class Texture(Section): class Texture(Section):
def __init__(self,data = {'__order__':[]}): def __init__(self,data = {'__order__':[]}):
"""New material.config <texture> section.""" """New material.config <texture> section."""
Section.__init__(self,data) Section.__init__(self,data)
def add_component(self,theType,properties): def add_component(self,theType,properties):
scatter = properties['scatter'] if 'scatter' in list(map(str.lower,list(properties.keys()))) else 0.0 scatter = properties['scatter'] if 'scatter' in list(map(str.lower,list(properties.keys()))) else 0.0
fraction = properties['fraction'] if 'fraction' in list(map(str.lower,list(properties.keys()))) else 1.0 fraction = properties['fraction'] if 'fraction' in list(map(str.lower,list(properties.keys()))) else 1.0
@ -81,45 +82,45 @@ class Texture(Section):
) )
) )
class Material(): class Material():
"""Read, manipulate, and write material.config files.""" """Read, manipulate, and write material.config files."""
def __init__(self,verbose=True): def __init__(self,verbose=True):
"""Generates ordered list of parts.""" """Generates ordered list of parts."""
self.parts = [ self.parts = [
'homogenization', 'homogenization',
'crystallite', 'crystallite',
'phase', 'phase',
'texture', 'texture',
'microstructure', 'microstructure',
] ]
self.data = {\ self.data = {
'homogenization': {'__order__': []}, 'homogenization': {'__order__': []},
'microstructure': {'__order__': []}, 'microstructure': {'__order__': []},
'crystallite': {'__order__': []}, 'crystallite': {'__order__': []},
'phase': {'__order__': []}, 'phase': {'__order__': []},
'texture': {'__order__': []}, 'texture': {'__order__': []},
} }
self.verbose = verbose self.verbose = verbose
def __repr__(self): def __repr__(self):
"""Returns current data structure in material.config format.""" """Returns current data structure in material.config format."""
me = [] me = []
for part in self.parts: for part in self.parts:
if self.verbose: print('processing <{}>'.format(part)) if self.verbose: print(f'processing <{part}>')
me += ['', me += ['',
'#'*100, '#'*100,
'<{}>'.format(part), f'<{part}>',
'#'*100, '#'*100,
] ]
for section in self.data[part]['__order__']: for section in self.data[part]['__order__']:
me += ['[{}] {}'.format(section,'#'+'-'*max(0,96-len(section)))] me += [f'[{section}] {"#"+"-"*max(0,96-len(section))}']
for key in self.data[part][section]['__order__']: for key in self.data[part][section]['__order__']:
if key.startswith('(') and key.endswith(')'): # multiple (key) if key.startswith('(') and key.endswith(')'): # multiple (key)
me += ['{}\t{}'.format(key,' '.join(values)) for values in self.data[part][section][key]] me += [f'{key}\t{" ".join(values)}' for values in self.data[part][section][key]]
else: # plain key else: # plain key
me += ['{}\t{}'.format(key,' '.join(map(str,self.data[part][section][key])))] me += [f'{key}\t{util.srepr(self.data[part][section][key]," ")}']
return '\n'.join(me) + '\n' return '\n'.join(me) + '\n'
def parse(self, part=None, sections=[], content=None): def parse(self, part=None, sections=[], content=None):
@ -158,7 +159,7 @@ class Material():
self.data[part][name_section][items[0]].append(items[1:]) self.data[part][name_section][items[0]].append(items[1:])
else: # plain key else: # plain key
self.data[part][name_section][items[0]] = items[1:] self.data[part][name_section][items[0]] = items[1:]
def read(self,filename=None): def read(self,filename=None):
@ -174,20 +175,20 @@ class Material():
recursiveRead(match.group(1) if match.group(1).startswith('/') else recursiveRead(match.group(1) if match.group(1).startswith('/') else
os.path.normpath(os.path.join(os.path.dirname(filename),match.group(1)))) os.path.normpath(os.path.join(os.path.dirname(filename),match.group(1))))
return result return result
c = recursiveRead(filename) c = recursiveRead(filename)
for p in self.parts: for p in self.parts:
self.parse(part=p, content=c) self.parse(part=p, content=c)
def write(self,filename='material.config', overwrite=False): def write(self,filename='material.config', overwrite=False):
"""Write to material.config.""" """Write to material.config."""
i = 0 i = 0
outname = filename outname = filename
while os.path.exists(outname) and not overwrite: while os.path.exists(outname) and not overwrite:
i += 1 i += 1
outname = '{}_{}'.format(filename,i) outname = f'{filename}_{i}'
if self.verbose: print('Writing material data to {}'.format(outname)) if self.verbose: print(f'Writing material data to {outname}')
with open(outname,'w') as f: with open(outname,'w') as f:
f.write(str(self)) f.write(str(self))
return outname return outname
@ -196,11 +197,11 @@ class Material():
"""Add Update.""" """Add Update."""
part = part.lower() part = part.lower()
section = section.lower() section = section.lower()
if part not in self.parts: raise Exception('invalid part {}'.format(part)) if part not in self.parts: raise Exception(f'invalid part {part}')
if not isinstance(initialData, dict): if not isinstance(initialData, dict):
initialData = initialData.data() initialData = initialData.data()
if section not in self.data[part]: self.data[part]['__order__'] += [section] if section not in self.data[part]: self.data[part]['__order__'] += [section]
if section in self.data[part] and merge: if section in self.data[part] and merge:
for existing in self.data[part][section]['__order__']: # replace existing for existing in self.data[part][section]['__order__']: # replace existing
@ -215,9 +216,9 @@ class Material():
self.data[part][section]['__order__'] += [new] self.data[part][section]['__order__'] += [new]
else: else:
self.data[part][section] = initialData self.data[part][section] = initialData
def add_microstructure(self, section='', def add_microstructure(self, section='',
components={}, # dict of phase,texture, and fraction lists components={}, # dict of phase,texture, and fraction lists
@ -226,7 +227,7 @@ class Material():
microstructure = Microstructure() microstructure = Microstructure()
# make keys lower case (http://stackoverflow.com/questions/764235/dictionary-to-lowercase-in-python) # make keys lower case (http://stackoverflow.com/questions/764235/dictionary-to-lowercase-in-python)
components=dict((k.lower(), v) for k,v in components.items()) components=dict((k.lower(), v) for k,v in components.items())
for key in ['phase','texture','fraction','crystallite']: for key in ['phase','texture','fraction','crystallite']:
if isinstance(components[key], list): if isinstance(components[key], list):
for i, x in enumerate(components[key]): for i, x in enumerate(components[key]):
@ -239,7 +240,7 @@ class Material():
components[key] = [components[key].lower()] components[key] = [components[key].lower()]
except AttributeError: except AttributeError:
components[key] = [components[key]] components[key] = [components[key]]
for (phase,texture,fraction,crystallite) in zip(components['phase'],components['texture'], for (phase,texture,fraction,crystallite) in zip(components['phase'],components['texture'],
components['fraction'],components['crystallite']): components['fraction'],components['crystallite']):
microstructure.add_multiKey('constituent','phase %i\ttexture %i\tfraction %g\ncrystallite %i'%( microstructure.add_multiKey('constituent','phase %i\ttexture %i\tfraction %g\ncrystallite %i'%(
@ -247,19 +248,19 @@ class Material():
self.data['texture']['__order__'].index(texture)+1, self.data['texture']['__order__'].index(texture)+1,
fraction, fraction,
self.data['crystallite']['__order__'].index(crystallite)+1)) self.data['crystallite']['__order__'].index(crystallite)+1))
self.add_section('microstructure',section,microstructure) self.add_section('microstructure',section,microstructure)
def change_value(self, part=None, def change_value(self, part=None,
section=None, section=None,
key=None, key=None,
value=None): value=None):
if not isinstance(value,list): if not isinstance(value,list):
if not isinstance(value,str): if not isinstance(value,str):
value = '%s'%value value = '%s'%value
value = [value] value = [value]
newlen = len(value) newlen = len(value)
oldval = self.data[part.lower()][section.lower()][key.lower()] oldval = self.data[part.lower()][section.lower()][key.lower()]
oldlen = len(oldval) oldlen = len(oldval)
print('changing %s:%s:%s from %s to %s '%(part.lower(),section.lower(),key.lower(),oldval,value)) print('changing %s:%s:%s from %s to %s '%(part.lower(),section.lower(),key.lower(),oldval,value))

18
python/damask/solver/_marc.py
View File

@ -25,7 +25,7 @@ class Marc:
def library_path(self): def library_path(self):
path_MSC = Environment().options['MSC_ROOT'] path_MSC = Environment().options['MSC_ROOT']
path_lib = Path('{}/mentat{}/shlib/linux64'.format(path_MSC,self.version)) path_lib = Path(f'{path_MSC}/mentat{self.version}/shlib/linux64')
return path_lib if path_lib.is_dir() else None return path_lib if path_lib.is_dir() else None
@ -34,7 +34,7 @@ class Marc:
def tools_path(self): def tools_path(self):
path_MSC = Environment().options['MSC_ROOT'] path_MSC = Environment().options['MSC_ROOT']
path_tools = Path('{}/marc{}/tools'.format(path_MSC,self.version)) path_tools = Path(f'{path_MSC}/marc{self.version}/tools')
return path_tools if path_tools.is_dir() else None return path_tools if path_tools.is_dir() else None
@ -51,21 +51,21 @@ class Marc:
env = Environment() env = Environment()
user = env.root_dir/Path('src/DAMASK_marc{}'.format(self.version)).with_suffix('.f90' if compile else '.marc') usersub = env.root_dir/Path(f'src/DAMASK_marc{self.version}').with_suffix('.f90' if compile else '.marc')
if not user.is_file(): if not usersub.is_file():
raise FileNotFoundError("DAMASK4Marc ({}) '{}' not found".format(('source' if compile else 'binary'),user)) raise FileNotFoundError("DAMASK4Marc ({}) '{}' not found".format(('source' if compile else 'binary'),usersub))
# Define options [see Marc Installation and Operation Guide, pp 23] # Define options [see Marc Installation and Operation Guide, pp 23]
script = 'run_damask_{}mp'.format(optimization) script = f'run_damask_{optimization}mp'
cmd = str(self.tools_path/Path(script)) + \ cmd = str(self.tools_path/Path(script)) + \
' -jid ' + model + '_' + job + \ ' -jid ' + model + '_' + job + \
' -nprocd 1 -autorst 0 -ci n -cr n -dcoup 0 -b no -v no' ' -nprocd 1 -autorst 0 -ci n -cr n -dcoup 0 -b no -v no'
if compile: cmd += ' -u ' + str(user) + ' -save y' if compile: cmd += ' -u ' + str(usersub) + ' -save y'
else: cmd += ' -prog ' + str(user.with_suffix('')) else: cmd += ' -prog ' + str(usersub.with_suffix(''))
print('job submission {} compilation: {}'.format('with' if compile else 'without',user)) print('job submission {} compilation: {}'.format(('with' if compile else 'without'),usersub))
if logfile: log = open(logfile, 'w') if logfile: log = open(logfile, 'w')
print(cmd) print(cmd)
process = subprocess.Popen(shlex.split(cmd),stdout = log,stderr = subprocess.STDOUT) process = subprocess.Popen(shlex.split(cmd),stdout = log,stderr = subprocess.STDOUT)

2
python/damask/util.py
View File

@ -236,7 +236,7 @@ class _ProgressBar:
delta_time = datetime.datetime.now() - self.start_time delta_time = datetime.datetime.now() - self.start_time
remaining_time = (self.total - (iteration+1)) * delta_time / (iteration+1) remaining_time = (self.total - (iteration+1)) * delta_time / (iteration+1)
remaining_time -= datetime.timedelta(microseconds=remaining_time.microseconds) # remove μs remaining_time -= datetime.timedelta(microseconds=remaining_time.microseconds) # remove μs
sys.stderr.write('\r{self.prefix} {bar} {fraction:>4.0%} ETA {remaining_time}') sys.stderr.write(f'\r{self.prefix} {bar} {fraction:>4.0%} ETA {remaining_time}')
sys.stderr.flush() sys.stderr.flush()
self.last_fraction = fraction self.last_fraction = fraction

17
python/tests/test_Geom.py
View File

@ -6,6 +6,7 @@ import numpy as np
from damask import Geom from damask import Geom
from damask import Rotation from damask import Rotation
from damask import util
def geom_equal(a,b): def geom_equal(a,b):
@ -85,8 +86,8 @@ class TestGeom:
def test_mirror(self,default,update,reference_dir,directions,reflect): def test_mirror(self,default,update,reference_dir,directions,reflect):
modified = copy.deepcopy(default) modified = copy.deepcopy(default)
modified.mirror(directions,reflect) modified.mirror(directions,reflect)
tag = 'directions={}_reflect={}'.format('-'.join(directions),reflect) tag = f'directions={"-".join(directions)}_reflect={reflect}'
reference = os.path.join(reference_dir,'mirror_{}.geom'.format(tag)) reference = os.path.join(reference_dir,f'mirror_{tag}.geom')
if update: modified.to_file(reference) if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference)) assert geom_equal(modified,Geom.from_file(reference))
@ -94,8 +95,8 @@ class TestGeom:
def test_clean(self,default,update,reference_dir,stencil): def test_clean(self,default,update,reference_dir,stencil):
modified = copy.deepcopy(default) modified = copy.deepcopy(default)
modified.clean(stencil) modified.clean(stencil)
tag = 'stencil={}'.format(stencil) tag = f'stencil={stencil}'
reference = os.path.join(reference_dir,'clean_{}.geom'.format(tag)) reference = os.path.join(reference_dir,f'clean_{tag}.geom')
if update: modified.to_file(reference) if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference)) assert geom_equal(modified,Geom.from_file(reference))
@ -111,8 +112,8 @@ class TestGeom:
def test_scale(self,default,update,reference_dir,grid): def test_scale(self,default,update,reference_dir,grid):
modified = copy.deepcopy(default) modified = copy.deepcopy(default)
modified.scale(grid) modified.scale(grid)
tag = 'grid={}'.format('-'.join([str(x) for x in grid])) tag = f'grid={util.srepr(grid,"-")}'
reference = os.path.join(reference_dir,'scale_{}.geom'.format(tag)) reference = os.path.join(reference_dir,f'scale_{tag}.geom')
if update: modified.to_file(reference) if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference)) assert geom_equal(modified,Geom.from_file(reference))
@ -150,8 +151,8 @@ class TestGeom:
def test_rotate(self,default,update,reference_dir,Eulers): def test_rotate(self,default,update,reference_dir,Eulers):
modified = copy.deepcopy(default) modified = copy.deepcopy(default)
modified.rotate(Rotation.from_Eulers(Eulers,degrees=True)) modified.rotate(Rotation.from_Eulers(Eulers,degrees=True))
tag = 'Eulers={}-{}-{}'.format(*Eulers) tag = f'Eulers={util.srepr(Eulers,"-")}'
reference = os.path.join(reference_dir,'rotate_{}.geom'.format(tag)) reference = os.path.join(reference_dir,f'rotate_{tag}.geom')
if update: modified.to_file(reference) if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference)) assert geom_equal(modified,Geom.from_file(reference))

2
python/tests/test_Lattice.py
View File

@ -38,4 +38,4 @@ class TestSymmetry:
def test_invalid_argument(self,function): def test_invalid_argument(self,function):
s = Symmetry() # noqa s = Symmetry() # noqa
with pytest.raises(ValueError): with pytest.raises(ValueError):
eval('s.{}(np.ones(4))'.format(function)) eval(f's.{function}(np.ones(4))')

2
python/tests/test_Orientation.py
View File

@ -49,7 +49,7 @@ class TestOrientation:
@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch']) @pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
@pytest.mark.parametrize('lattice',['fcc','bcc']) @pytest.mark.parametrize('lattice',['fcc','bcc'])
def test_relationship_reference(self,update,reference_dir,model,lattice): def test_relationship_reference(self,update,reference_dir,model,lattice):
reference = os.path.join(reference_dir,'{}_{}.txt'.format(lattice,model)) reference = os.path.join(reference_dir,f'{lattice}_{model}.txt')
ori = Orientation(Rotation(),lattice) ori = Orientation(Rotation(),lattice)
eu = np.array([o.rotation.as_Eulers(degrees=True) for o in ori.relatedOrientations(model)]) eu = np.array([o.rotation.as_Eulers(degrees=True) for o in ori.relatedOrientations(model)])
if update: if update:

8
python/tests/test_Result.py
View File

@ -137,7 +137,7 @@ class TestResult:
default.add_Cauchy('P','F') default.add_Cauchy('P','F')
default.add_eigenvalue('sigma',eigenvalue) default.add_eigenvalue('sigma',eigenvalue)
loc = {'sigma' :default.get_dataset_location('sigma'), loc = {'sigma' :default.get_dataset_location('sigma'),
'lambda':default.get_dataset_location('lambda_{}(sigma)'.format(eigenvalue))} 'lambda':default.get_dataset_location(f'lambda_{eigenvalue}(sigma)')}
in_memory = function(mechanics.eigenvalues(default.read_dataset(loc['sigma'],0)),axis=1,keepdims=True) in_memory = function(mechanics.eigenvalues(default.read_dataset(loc['sigma'],0)),axis=1,keepdims=True)
in_file = default.read_dataset(loc['lambda'],0) in_file = default.read_dataset(loc['lambda'],0)
assert np.allclose(in_memory,in_file) assert np.allclose(in_memory,in_file)
@ -147,7 +147,7 @@ class TestResult:
default.add_Cauchy('P','F') default.add_Cauchy('P','F')
default.add_eigenvector('sigma',eigenvalue) default.add_eigenvector('sigma',eigenvalue)
loc = {'sigma' :default.get_dataset_location('sigma'), loc = {'sigma' :default.get_dataset_location('sigma'),
'v(sigma)':default.get_dataset_location('v_{}(sigma)'.format(eigenvalue))} 'v(sigma)':default.get_dataset_location(f'v_{eigenvalue}(sigma)')}
in_memory = mechanics.eigenvectors(default.read_dataset(loc['sigma'],0))[:,idx] in_memory = mechanics.eigenvectors(default.read_dataset(loc['sigma'],0))[:,idx]
in_file = default.read_dataset(loc['v(sigma)'],0) in_file = default.read_dataset(loc['v(sigma)'],0)
assert np.allclose(in_memory,in_file) assert np.allclose(in_memory,in_file)
@ -179,7 +179,7 @@ class TestResult:
t = ['V','U'][np.random.randint(0,2)] t = ['V','U'][np.random.randint(0,2)]
m = np.random.random()*2.0 - 1.0 m = np.random.random()*2.0 - 1.0
default.add_strain_tensor('F',t,m) default.add_strain_tensor('F',t,m)
label = 'epsilon_{}^{}(F)'.format(t,m) label = f'epsilon_{t}^{m}(F)'
default.add_Mises(label) default.add_Mises(label)
loc = {label :default.get_dataset_location(label), loc = {label :default.get_dataset_location(label),
label+'_vM':default.get_dataset_location(label+'_vM')} label+'_vM':default.get_dataset_location(label+'_vM')}
@ -248,7 +248,7 @@ class TestResult:
t = ['V','U'][np.random.randint(0,2)] t = ['V','U'][np.random.randint(0,2)]
m = np.random.random()*2.0 - 1.0 m = np.random.random()*2.0 - 1.0
default.add_strain_tensor('F',t,m) default.add_strain_tensor('F',t,m)
label = 'epsilon_{}^{}(F)'.format(t,m) label = f'epsilon_{t}^{m}(F)'
loc = {'F': default.get_dataset_location('F'), loc = {'F': default.get_dataset_location('F'),
label: default.get_dataset_location(label)} label: default.get_dataset_location(label)}
in_memory = mechanics.strain_tensor(default.read_dataset(loc['F'],0),t,m) in_memory = mechanics.strain_tensor(default.read_dataset(loc['F'],0),t,m)

4
python/tests/test_Rotation.py
View File

@ -556,7 +556,7 @@ def mul(me, other):
else: else:
raise ValueError('Can only rotate vectors, 2nd order tensors, and 4th order tensors') raise ValueError('Can only rotate vectors, 2nd order tensors, and 4th order tensors')
else: else:
raise TypeError('Cannot rotate {}'.format(type(other))) raise TypeError(f'Cannot rotate {type(other)}')
class TestRotation: class TestRotation:
@ -878,7 +878,7 @@ class TestRotation:
def test_invalid_P(self,fr,to): def test_invalid_P(self,fr,to):
R = Rotation.from_random(np.random.randint(8,32,(3))) # noqa R = Rotation.from_random(np.random.randint(8,32,(3))) # noqa
with pytest.raises(ValueError): with pytest.raises(ValueError):
fr(eval('R.{}()'.format(to)),P=-30) fr(eval(f'R.{to}()'),P=-30)
@pytest.mark.parametrize('shape',[None,(3,),(4,2)]) @pytest.mark.parametrize('shape',[None,(3,),(4,2)])
def test_broadcast(self,shape): def test_broadcast(self,shape):

8
python/tests/test_grid_filters.py
View File

@ -30,8 +30,8 @@ class TestGridFilters:
grid = np.random.randint(8,32,(3)) grid = np.random.randint(8,32,(3))
size = np.random.random(3) size = np.random.random(3)
origin = np.random.random(3) origin = np.random.random(3)
coord0 = eval('grid_filters.{}_coord0(grid,size,origin)'.format(mode)) # noqa coord0 = eval(f'grid_filters.{mode}_coord0(grid,size,origin)') # noqa
_grid,_size,_origin = eval('grid_filters.{}_coord0_gridSizeOrigin(coord0.reshape(-1,3,order="F"))'.format(mode)) _grid,_size,_origin = eval(f'grid_filters.{mode}_coord0_gridSizeOrigin(coord0.reshape(-1,3,order="F"))')
assert np.allclose(grid,_grid) and np.allclose(size,_size) and np.allclose(origin,_origin) assert np.allclose(grid,_grid) and np.allclose(size,_size) and np.allclose(origin,_origin)
def test_displacement_fluct_equivalence(self): def test_displacement_fluct_equivalence(self):
@ -67,8 +67,8 @@ class TestGridFilters:
origin= np.random.random(3) origin= np.random.random(3)
size = np.random.random(3) # noqa size = np.random.random(3) # noqa
grid = np.random.randint(8,32,(3)) grid = np.random.randint(8,32,(3))
shifted = eval('grid_filters.{}_coord0(grid,size,origin)'.format(mode)) shifted = eval(f'grid_filters.{mode}_coord0(grid,size,origin)')
unshifted = eval('grid_filters.{}_coord0(grid,size)'.format(mode)) unshifted = eval(f'grid_filters.{mode}_coord0(grid,size)')
if mode == 'cell': if mode == 'cell':
assert np.allclose(shifted,unshifted+np.broadcast_to(origin,tuple(grid) +(3,))) assert np.allclose(shifted,unshifted+np.broadcast_to(origin,tuple(grid) +(3,)))
elif mode == 'node': elif mode == 'node':