Merge branch 'general-config' into 'development'
General config See merge request damask/DAMASK!245
This commit is contained in:
Philip Eisenlohr
commit
846cbdd2e4
|
|
@ -10,20 +10,21 @@ with open(_Path(__file__).parent/_Path('VERSION')) as _f:
|
|||
# make classes directly accessible as damask.Class
|
||||
from ._environment import Environment as _ # noqa
|
||||
environment = _()
|
||||
from ._table import Table # noqa
|
||||
from ._vtk import VTK # noqa
|
||||
from ._colormap import Colormap # noqa
|
||||
from ._rotation import Rotation # noqa
|
||||
from ._lattice import Symmetry, Lattice# noqa
|
||||
from ._orientation import Orientation # noqa
|
||||
from ._result import Result # noqa
|
||||
from ._geom import Geom # noqa
|
||||
from ._material import Material # noqa
|
||||
from . import solver # noqa
|
||||
from . import util # noqa
|
||||
from . import seeds # noqa
|
||||
from . import grid_filters # noqa
|
||||
from . import mechanics # noqa
|
||||
from ._table import Table # noqa
|
||||
from ._vtk import VTK # noqa
|
||||
from ._colormap import Colormap # noqa
|
||||
from ._rotation import Rotation # noqa
|
||||
from ._lattice import Symmetry, Lattice# noqa
|
||||
from ._orientation import Orientation # noqa
|
||||
from ._result import Result # noqa
|
||||
from ._geom import Geom # noqa
|
||||
from ._config import Config # noqa
|
||||
from ._configmaterial import ConfigMaterial # noqa
|
||||
from . import solver # noqa
|
||||
from . import util # noqa
|
||||
from . import seeds # noqa
|
||||
from . import grid_filters # noqa
|
||||
from . import mechanics # noqa
|
||||
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -0,0 +1,80 @@
|
|||
from io import StringIO
|
||||
import abc
|
||||
|
||||
import yaml
|
||||
|
||||
class NiceDumper(yaml.SafeDumper):
|
||||
"""Make YAML readable for humans."""
|
||||
|
||||
def write_line_break(self, data=None):
|
||||
super().write_line_break(data)
|
||||
|
||||
if len(self.indents) == 1:
|
||||
super().write_line_break()
|
||||
|
||||
def increase_indent(self, flow=False, indentless=False):
|
||||
return super().increase_indent(flow, False)
|
||||
|
||||
|
||||
class Config(dict):
|
||||
"""YAML-based configuration."""
|
||||
|
||||
def __repr__(self):
|
||||
"""Show as in file."""
|
||||
output = StringIO()
|
||||
self.save(output)
|
||||
output.seek(0)
|
||||
return ''.join(output.readlines())
|
||||
|
||||
@classmethod
|
||||
def load(cls,fname):
|
||||
"""
|
||||
Load from yaml file.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : file, str, or pathlib.Path
|
||||
Filename or file for writing.
|
||||
|
||||
"""
|
||||
try:
|
||||
fhandle = open(fname)
|
||||
except TypeError:
|
||||
fhandle = fname
|
||||
return cls(yaml.safe_load(fhandle))
|
||||
|
||||
def save(self,fname,**kwargs):
|
||||
"""
|
||||
Save to yaml file.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : file, str, or pathlib.Path
|
||||
Filename or file for writing.
|
||||
**kwargs : dict
|
||||
Keyword arguments parsed to yaml.dump.
|
||||
|
||||
"""
|
||||
try:
|
||||
fhandle = open(fname,'w')
|
||||
except TypeError:
|
||||
fhandle = fname
|
||||
|
||||
if 'width' not in kwargs:
|
||||
kwargs['width'] = 256
|
||||
if 'default_flow_style' not in kwargs:
|
||||
kwargs['default_flow_style'] = None
|
||||
fhandle.write(yaml.dump(dict(self),Dumper=NiceDumper,**kwargs))
|
||||
|
||||
|
||||
@property
|
||||
@abc.abstractmethod
|
||||
def is_complete(self):
|
||||
"""Check for completeness."""
|
||||
pass
|
||||
|
||||
@property
|
||||
@abc.abstractmethod
|
||||
def is_valid(self):
|
||||
"""Check for valid file layout."""
|
||||
pass
|
||||
|
|
@ -1,93 +1,60 @@
|
|||
from io import StringIO
|
||||
import copy
|
||||
|
||||
import yaml
|
||||
import numpy as np
|
||||
|
||||
from . import Config
|
||||
from . import Lattice
|
||||
from . import Rotation
|
||||
|
||||
class NiceDumper(yaml.SafeDumper):
|
||||
"""Make YAML readable for humans."""
|
||||
|
||||
def write_line_break(self, data=None):
|
||||
super().write_line_break(data)
|
||||
|
||||
if len(self.indents) == 1:
|
||||
super().write_line_break()
|
||||
|
||||
def increase_indent(self, flow=False, indentless=False):
|
||||
return super().increase_indent(flow, False)
|
||||
|
||||
|
||||
class Material(dict):
|
||||
class ConfigMaterial(Config):
|
||||
"""Material configuration."""
|
||||
|
||||
def __repr__(self):
|
||||
"""Show as in file."""
|
||||
output = StringIO()
|
||||
self.save(output)
|
||||
output.seek(0)
|
||||
return ''.join(output.readlines())
|
||||
|
||||
@staticmethod
|
||||
def load(fname):
|
||||
"""Load from yaml file."""
|
||||
try:
|
||||
fhandle = open(fname)
|
||||
except TypeError:
|
||||
fhandle = fname
|
||||
return Material(yaml.safe_load(fhandle))
|
||||
|
||||
def save(self,fname='material.yaml'):
|
||||
def save(self,fname='material.yaml',**kwargs):
|
||||
"""
|
||||
Save to yaml file.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
fname : file, str, or pathlib.Path
|
||||
Filename or file for reading.
|
||||
fname : file, str, or pathlib.Path, optional
|
||||
Filename or file for writing. Defaults to 'material.yaml'.
|
||||
**kwargs : dict
|
||||
Keyword arguments parsed to yaml.dump.
|
||||
|
||||
"""
|
||||
try:
|
||||
fhandle = open(fname,'w')
|
||||
except TypeError:
|
||||
fhandle = fname
|
||||
fhandle.write(yaml.dump(dict(self),width=256,default_flow_style=None,Dumper=NiceDumper))
|
||||
|
||||
super().save(fname,**kwargs)
|
||||
|
||||
@property
|
||||
def is_complete(self):
|
||||
"""Check for completeness."""
|
||||
ok = True
|
||||
for top_level in ['homogenization','phase','microstructure']:
|
||||
for top_level in ['homogenization','phase','material']:
|
||||
# ToDo: With python 3.8 as prerequisite we can shorten with :=
|
||||
ok &= top_level in self
|
||||
if top_level not in self: print(f'{top_level} entry missing')
|
||||
|
||||
if ok:
|
||||
ok &= len(self['microstructure']) > 0
|
||||
if len(self['microstructure']) < 1: print('Incomplete microstructure definition')
|
||||
ok &= len(self['material']) > 0
|
||||
if len(self['material']) < 1: print('Incomplete material definition')
|
||||
|
||||
if ok:
|
||||
homogenization = set()
|
||||
phase = set()
|
||||
for i,v in enumerate(self['microstructure']):
|
||||
for i,v in enumerate(self['material']):
|
||||
if 'homogenization' in v:
|
||||
homogenization.add(v['homogenization'])
|
||||
else:
|
||||
print(f'No homogenization specified in microstructure {i}')
|
||||
print(f'No homogenization specified in material {i}')
|
||||
ok = False
|
||||
|
||||
if 'constituents' in v:
|
||||
for ii,vv in enumerate(v['constituents']):
|
||||
if 'orientation' not in vv:
|
||||
print('No orientation specified in constituent {ii} of microstructure {i}')
|
||||
if 'O' not in vv:
|
||||
print('No orientation specified in constituent {ii} of material {i}')
|
||||
ok = False
|
||||
if 'phase' in vv:
|
||||
phase.add(vv['phase'])
|
||||
else:
|
||||
print(f'No phase specified in constituent {ii} of microstructure {i}')
|
||||
print(f'No phase specified in constituent {ii} of material {i}')
|
||||
ok = False
|
||||
|
||||
for k,v in self['phase'].items():
|
||||
|
|
@ -125,42 +92,42 @@ class Material(dict):
|
|||
print(f"Invalid lattice: '{s}' in phase '{k}'")
|
||||
ok = False
|
||||
|
||||
if 'microstructure' in self:
|
||||
for i,v in enumerate(self['microstructure']):
|
||||
if 'material' in self:
|
||||
for i,v in enumerate(self['material']):
|
||||
if 'constituents' in v:
|
||||
f = 0.0
|
||||
for c in v['constituents']:
|
||||
f+= float(c['fraction'])
|
||||
if 'orientation' in c:
|
||||
if 'O' in c:
|
||||
try:
|
||||
Rotation.from_quaternion(c['orientation'])
|
||||
Rotation.from_quaternion(c['O'])
|
||||
except ValueError:
|
||||
o = c['orientation']
|
||||
print(f"Invalid orientation: '{o}' in microstructure '{i}'")
|
||||
o = c['O']
|
||||
print(f"Invalid orientation: '{o}' in material '{i}'")
|
||||
ok = False
|
||||
if not np.isclose(f,1.0):
|
||||
print(f"Invalid total fraction '{f}' in microstructure '{i}'")
|
||||
print(f"Invalid total fraction '{f}' in material '{i}'")
|
||||
ok = False
|
||||
|
||||
return ok
|
||||
|
||||
|
||||
def microstructure_rename_phase(self,mapping,ID=None,constituent=None):
|
||||
def material_rename_phase(self,mapping,ID=None,constituent=None):
|
||||
"""
|
||||
Change phase name in microstructure.
|
||||
Change phase name in material.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
mapping: dictionary
|
||||
Mapping from old name to new name
|
||||
ID: list of ints, optional
|
||||
Limit renaming to selected microstructure IDs.
|
||||
Limit renaming to selected material IDs.
|
||||
constituent: list of ints, optional
|
||||
Limit renaming to selected constituents.
|
||||
|
||||
"""
|
||||
dup = copy.deepcopy(self)
|
||||
for i,m in enumerate(dup['microstructure']):
|
||||
for i,m in enumerate(dup['material']):
|
||||
if ID and i not in ID: continue
|
||||
for c in m['constituents']:
|
||||
if constituent is not None and c not in constituent: continue
|
||||
|
|
@ -171,9 +138,9 @@ class Material(dict):
|
|||
return dup
|
||||
|
||||
|
||||
def microstructure_rename_homogenization(self,mapping,ID=None):
|
||||
def material_rename_homogenization(self,mapping,ID=None):
|
||||
"""
|
||||
Change homogenization name in microstructure.
|
||||
Change homogenization name in material.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
|
|
@ -184,7 +151,7 @@ class Material(dict):
|
|||
|
||||
"""
|
||||
dup = copy.deepcopy(self)
|
||||
for i,m in enumerate(dup['microstructure']):
|
||||
for i,m in enumerate(dup['material']):
|
||||
if ID and i not in ID: continue
|
||||
try:
|
||||
m['homogenization'] = mapping[m['homogenization']]
|
||||
|
|
@ -2,32 +2,32 @@ homogenization:
|
|||
SX:
|
||||
mech: {type: none}
|
||||
Taylor:
|
||||
mech: {type: isostrain, N_constituents: 2}
|
||||
mech: {N_constituents: 2, type: isostrain}
|
||||
|
||||
microstructure:
|
||||
material:
|
||||
- constituents:
|
||||
- fraction: 1.0
|
||||
orientation: [1.0, 0.0, 0.0, 0.0]
|
||||
O: [1.0, 0.0, 0.0, 0.0]
|
||||
phase: Aluminum
|
||||
homogenization: SX
|
||||
- constituents:
|
||||
- fraction: 1.0
|
||||
orientation: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
|
||||
O: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
|
||||
phase: Aluminum
|
||||
homogenization: SX
|
||||
- constituents:
|
||||
- fraction: 1.0
|
||||
orientation: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
|
||||
O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
|
||||
phase: Aluminum
|
||||
homogenization: SX
|
||||
- homogenization: Taylor
|
||||
constituents:
|
||||
- fraction: .5
|
||||
orientation: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
|
||||
- constituents:
|
||||
- fraction: 0.5
|
||||
O: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
|
||||
phase: Aluminum
|
||||
- fraction: .5
|
||||
orientation: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
|
||||
- fraction: 0.5
|
||||
O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
|
||||
phase: Steel
|
||||
homogenization: Taylor
|
||||
|
||||
phase:
|
||||
Aluminum:
|
||||
|
|
@ -0,0 +1,37 @@
|
|||
import pytest
|
||||
|
||||
from damask import Config
|
||||
|
||||
class TestConfig:
|
||||
|
||||
@pytest.mark.parametrize('flow_style',[None,True,False])
|
||||
def test_load_save_str(self,tmp_path,flow_style):
|
||||
config = Config()
|
||||
config['A'] = 1
|
||||
config['B'] = [2,3]
|
||||
config.save(tmp_path/'config.yaml',default_flow_style=flow_style)
|
||||
assert Config.load(tmp_path/'config.yaml') == config
|
||||
|
||||
def test_load_save_file(self,tmp_path):
|
||||
config = Config()
|
||||
config['A'] = 1
|
||||
config['B'] = [2,3]
|
||||
with open(tmp_path/'config.yaml','w') as f:
|
||||
config.save(f)
|
||||
with open(tmp_path/'config.yaml') as f:
|
||||
assert Config.load(f) == config
|
||||
|
||||
def test_repr(self,tmp_path):
|
||||
config = Config()
|
||||
config['A'] = 1
|
||||
config['B'] = [2,3]
|
||||
with open(tmp_path/'config.yaml','w') as f:
|
||||
f.write(config.__repr__())
|
||||
assert Config.load(tmp_path/'config.yaml') == config
|
||||
|
||||
|
||||
def test_abstract_is_valid(self):
|
||||
assert Config().is_valid is None
|
||||
|
||||
def test_abstract_is_complete(self):
|
||||
assert Config().is_complete is None
|
||||
|
|
@ -0,0 +1,76 @@
|
|||
import os
|
||||
|
||||
import pytest
|
||||
|
||||
from damask import ConfigMaterial
|
||||
|
||||
@pytest.fixture
|
||||
def reference_dir(reference_dir_base):
|
||||
"""Directory containing reference results."""
|
||||
return reference_dir_base/'ConfigMaterial'
|
||||
|
||||
|
||||
class TestConfigMaterial:
|
||||
|
||||
@pytest.mark.parametrize('fname',[None,'test.yaml'])
|
||||
def test_load_save(self,reference_dir,tmp_path,fname):
|
||||
reference = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
os.chdir(tmp_path)
|
||||
if fname is None:
|
||||
reference.save()
|
||||
new = ConfigMaterial.load('material.yaml')
|
||||
else:
|
||||
reference.save(fname)
|
||||
new = ConfigMaterial.load(fname)
|
||||
assert reference == new
|
||||
|
||||
def test_valid_complete(self,reference_dir):
|
||||
material_config = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
assert material_config.is_valid and material_config.is_complete
|
||||
|
||||
def test_invalid_lattice(self,reference_dir):
|
||||
material_config = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
material_config['phase']['Aluminum']['lattice']='fxc'
|
||||
assert not material_config.is_valid
|
||||
|
||||
def test_invalid_orientation(self,reference_dir):
|
||||
material_config = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
material_config['material'][0]['constituents'][0]['O']=[0,0,0,0]
|
||||
assert not material_config.is_valid
|
||||
|
||||
def test_invalid_fraction(self,reference_dir):
|
||||
material_config = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
material_config['material'][0]['constituents'][0]['fraction']=.9
|
||||
assert not material_config.is_valid
|
||||
|
||||
@pytest.mark.parametrize('item',['homogenization','phase','material'])
|
||||
def test_incomplete_missing(self,reference_dir,item):
|
||||
material_config = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
del material_config[item]
|
||||
assert not material_config.is_complete
|
||||
|
||||
@pytest.mark.parametrize('item',['O','phase'])
|
||||
def test_incomplete_material_constituent(self,reference_dir,item):
|
||||
material_config = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
del material_config['material'][0]['constituents'][0][item]
|
||||
assert not material_config.is_complete
|
||||
|
||||
def test_incomplete_material_homogenization(self,reference_dir):
|
||||
material_config = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
del material_config['material'][0]['homogenization']
|
||||
assert not material_config.is_complete
|
||||
|
||||
def test_incomplete_phase_lattice(self,reference_dir):
|
||||
material_config = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
del material_config['phase']['Aluminum']['lattice']
|
||||
assert not material_config.is_complete
|
||||
|
||||
def test_incomplete_wrong_phase(self,reference_dir):
|
||||
material_config = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
new = material_config.material_rename_phase({'Steel':'FeNbC'})
|
||||
assert not new.is_complete
|
||||
|
||||
def test_incomplete_wrong_homogenization(self,reference_dir):
|
||||
material_config = ConfigMaterial.load(reference_dir/'material.yaml')
|
||||
new = material_config.material_rename_homogenization({'Taylor':'isostrain'})
|
||||
assert not new.is_complete
|
||||
|
|
@ -1,61 +0,0 @@
|
|||
import os
|
||||
|
||||
import pytest
|
||||
|
||||
from damask import Material
|
||||
|
||||
@pytest.fixture
|
||||
def reference_dir(reference_dir_base):
|
||||
"""Directory containing reference results."""
|
||||
return reference_dir_base/'Material'
|
||||
|
||||
|
||||
class TestMaterial:
|
||||
|
||||
@pytest.mark.parametrize('fname',[None,'test.yaml'])
|
||||
def test_load_save(self,reference_dir,tmp_path,fname):
|
||||
reference = Material.load(reference_dir/'material.yaml')
|
||||
os.chdir(tmp_path)
|
||||
if fname is None:
|
||||
reference.save()
|
||||
new = Material.load('material.yaml')
|
||||
else:
|
||||
reference.save(fname)
|
||||
new = Material.load(fname)
|
||||
assert reference == new
|
||||
|
||||
def test_valid_complete(self,reference_dir):
|
||||
material_config = Material.load(reference_dir/'material.yaml')
|
||||
assert material_config.is_valid and material_config.is_complete
|
||||
|
||||
def test_invalid_lattice(self,reference_dir):
|
||||
material_config = Material.load(reference_dir/'material.yaml')
|
||||
material_config['phase']['Aluminum']['lattice']='fxc'
|
||||
assert not material_config.is_valid
|
||||
|
||||
def test_invalid_orientation(self,reference_dir):
|
||||
material_config = Material.load(reference_dir/'material.yaml')
|
||||
material_config['microstructure'][0]['constituents'][0]['orientation']=[0,0,0,0]
|
||||
assert not material_config.is_valid
|
||||
|
||||
def test_invalid_fraction(self,reference_dir):
|
||||
material_config = Material.load(reference_dir/'material.yaml')
|
||||
material_config['microstructure'][0]['constituents'][0]['fraction']=.9
|
||||
assert not material_config.is_valid
|
||||
|
||||
|
||||
@pytest.mark.parametrize('item',['homogenization','phase','microstructure'])
|
||||
def test_incomplete_missing(self,reference_dir,item):
|
||||
material_config = Material.load(reference_dir/'material.yaml')
|
||||
del material_config[item]
|
||||
assert not material_config.is_complete
|
||||
|
||||
def test_incomplete_wrong_phase(self,reference_dir):
|
||||
material_config = Material.load(reference_dir/'material.yaml')
|
||||
new = material_config.microstructure_rename_phase({'Steel':'FeNbC'})
|
||||
assert not new.is_complete
|
||||
|
||||
def test_incomplete_wrong_homogenization(self,reference_dir):
|
||||
material_config = Material.load(reference_dir/'material.yaml')
|
||||
new = material_config.microstructure_rename_homogenization({'Taylor':'isostrain'})
|
||||
assert not new.is_complete
|
||||
Loading…
Reference in New Issue