Merge branch 'general-config' into 'development'
General config See merge request damask/DAMASK!245
This commit is contained in:
Philip Eisenlohr
commit
846cbdd2e4
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@ -18,7 +18,8 @@ from ._lattice import Symmetry, Lattice# noqa
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from ._orientation import Orientation # noqa
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from ._result import Result # noqa
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from ._geom import Geom # noqa
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from ._material import Material # noqa
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from ._config import Config # noqa
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from ._configmaterial import ConfigMaterial # noqa
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from . import solver # noqa
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from . import util # noqa
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from . import seeds # noqa
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@ -0,0 +1,80 @@
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from io import StringIO
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import abc
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import yaml
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class NiceDumper(yaml.SafeDumper):
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"""Make YAML readable for humans."""
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def write_line_break(self, data=None):
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super().write_line_break(data)
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if len(self.indents) == 1:
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super().write_line_break()
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def increase_indent(self, flow=False, indentless=False):
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return super().increase_indent(flow, False)
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class Config(dict):
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"""YAML-based configuration."""
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def __repr__(self):
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"""Show as in file."""
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output = StringIO()
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self.save(output)
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output.seek(0)
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return ''.join(output.readlines())
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@classmethod
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def load(cls,fname):
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"""
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Load from yaml file.
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Parameters
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----------
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fname : file, str, or pathlib.Path
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Filename or file for writing.
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"""
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try:
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fhandle = open(fname)
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except TypeError:
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fhandle = fname
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return cls(yaml.safe_load(fhandle))
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def save(self,fname,**kwargs):
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"""
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Save to yaml file.
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Parameters
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----------
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fname : file, str, or pathlib.Path
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Filename or file for writing.
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**kwargs : dict
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Keyword arguments parsed to yaml.dump.
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"""
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try:
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fhandle = open(fname,'w')
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except TypeError:
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fhandle = fname
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if 'width' not in kwargs:
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kwargs['width'] = 256
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if 'default_flow_style' not in kwargs:
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kwargs['default_flow_style'] = None
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fhandle.write(yaml.dump(dict(self),Dumper=NiceDumper,**kwargs))
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@property
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@abc.abstractmethod
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def is_complete(self):
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"""Check for completeness."""
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pass
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@property
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@abc.abstractmethod
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def is_valid(self):
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"""Check for valid file layout."""
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pass
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@ -1,93 +1,60 @@
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from io import StringIO
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import copy
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import yaml
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import numpy as np
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from . import Config
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from . import Lattice
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from . import Rotation
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class NiceDumper(yaml.SafeDumper):
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"""Make YAML readable for humans."""
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def write_line_break(self, data=None):
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super().write_line_break(data)
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if len(self.indents) == 1:
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super().write_line_break()
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def increase_indent(self, flow=False, indentless=False):
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return super().increase_indent(flow, False)
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class Material(dict):
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class ConfigMaterial(Config):
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"""Material configuration."""
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def __repr__(self):
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"""Show as in file."""
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output = StringIO()
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self.save(output)
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output.seek(0)
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return ''.join(output.readlines())
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@staticmethod
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def load(fname):
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"""Load from yaml file."""
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try:
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fhandle = open(fname)
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except TypeError:
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fhandle = fname
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return Material(yaml.safe_load(fhandle))
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def save(self,fname='material.yaml'):
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def save(self,fname='material.yaml',**kwargs):
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"""
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Save to yaml file.
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Parameters
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----------
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fname : file, str, or pathlib.Path
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Filename or file for reading.
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fname : file, str, or pathlib.Path, optional
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Filename or file for writing. Defaults to 'material.yaml'.
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**kwargs : dict
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Keyword arguments parsed to yaml.dump.
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"""
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try:
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fhandle = open(fname,'w')
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except TypeError:
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fhandle = fname
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fhandle.write(yaml.dump(dict(self),width=256,default_flow_style=None,Dumper=NiceDumper))
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super().save(fname,**kwargs)
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@property
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def is_complete(self):
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"""Check for completeness."""
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ok = True
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for top_level in ['homogenization','phase','microstructure']:
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for top_level in ['homogenization','phase','material']:
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# ToDo: With python 3.8 as prerequisite we can shorten with :=
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ok &= top_level in self
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if top_level not in self: print(f'{top_level} entry missing')
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if ok:
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ok &= len(self['microstructure']) > 0
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if len(self['microstructure']) < 1: print('Incomplete microstructure definition')
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ok &= len(self['material']) > 0
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if len(self['material']) < 1: print('Incomplete material definition')
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if ok:
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homogenization = set()
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phase = set()
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for i,v in enumerate(self['microstructure']):
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for i,v in enumerate(self['material']):
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if 'homogenization' in v:
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homogenization.add(v['homogenization'])
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else:
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print(f'No homogenization specified in microstructure {i}')
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print(f'No homogenization specified in material {i}')
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ok = False
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if 'constituents' in v:
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for ii,vv in enumerate(v['constituents']):
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if 'orientation' not in vv:
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print('No orientation specified in constituent {ii} of microstructure {i}')
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if 'O' not in vv:
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print('No orientation specified in constituent {ii} of material {i}')
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ok = False
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if 'phase' in vv:
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phase.add(vv['phase'])
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else:
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print(f'No phase specified in constituent {ii} of microstructure {i}')
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print(f'No phase specified in constituent {ii} of material {i}')
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ok = False
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for k,v in self['phase'].items():
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@ -125,42 +92,42 @@ class Material(dict):
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print(f"Invalid lattice: '{s}' in phase '{k}'")
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ok = False
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if 'microstructure' in self:
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for i,v in enumerate(self['microstructure']):
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if 'material' in self:
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for i,v in enumerate(self['material']):
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if 'constituents' in v:
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f = 0.0
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for c in v['constituents']:
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f+= float(c['fraction'])
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if 'orientation' in c:
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if 'O' in c:
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try:
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Rotation.from_quaternion(c['orientation'])
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Rotation.from_quaternion(c['O'])
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except ValueError:
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o = c['orientation']
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print(f"Invalid orientation: '{o}' in microstructure '{i}'")
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o = c['O']
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print(f"Invalid orientation: '{o}' in material '{i}'")
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ok = False
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if not np.isclose(f,1.0):
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print(f"Invalid total fraction '{f}' in microstructure '{i}'")
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print(f"Invalid total fraction '{f}' in material '{i}'")
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ok = False
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return ok
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def microstructure_rename_phase(self,mapping,ID=None,constituent=None):
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def material_rename_phase(self,mapping,ID=None,constituent=None):
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"""
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Change phase name in microstructure.
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Change phase name in material.
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Parameters
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----------
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mapping: dictionary
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Mapping from old name to new name
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ID: list of ints, optional
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Limit renaming to selected microstructure IDs.
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Limit renaming to selected material IDs.
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constituent: list of ints, optional
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Limit renaming to selected constituents.
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"""
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dup = copy.deepcopy(self)
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for i,m in enumerate(dup['microstructure']):
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for i,m in enumerate(dup['material']):
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if ID and i not in ID: continue
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for c in m['constituents']:
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if constituent is not None and c not in constituent: continue
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@ -171,9 +138,9 @@ class Material(dict):
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return dup
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def microstructure_rename_homogenization(self,mapping,ID=None):
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def material_rename_homogenization(self,mapping,ID=None):
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"""
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Change homogenization name in microstructure.
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Change homogenization name in material.
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Parameters
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----------
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@ -184,7 +151,7 @@ class Material(dict):
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"""
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dup = copy.deepcopy(self)
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for i,m in enumerate(dup['microstructure']):
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for i,m in enumerate(dup['material']):
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if ID and i not in ID: continue
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try:
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m['homogenization'] = mapping[m['homogenization']]
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@ -2,32 +2,32 @@ homogenization:
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SX:
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mech: {type: none}
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Taylor:
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mech: {type: isostrain, N_constituents: 2}
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mech: {N_constituents: 2, type: isostrain}
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microstructure:
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material:
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- constituents:
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- fraction: 1.0
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orientation: [1.0, 0.0, 0.0, 0.0]
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O: [1.0, 0.0, 0.0, 0.0]
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phase: Aluminum
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homogenization: SX
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- constituents:
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- fraction: 1.0
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orientation: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
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O: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
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phase: Aluminum
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homogenization: SX
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- constituents:
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- fraction: 1.0
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orientation: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
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O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
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phase: Aluminum
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homogenization: SX
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- homogenization: Taylor
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constituents:
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- fraction: .5
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orientation: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
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- constituents:
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- fraction: 0.5
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O: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
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phase: Aluminum
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- fraction: .5
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orientation: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
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- fraction: 0.5
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O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
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phase: Steel
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homogenization: Taylor
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phase:
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Aluminum:
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@ -0,0 +1,37 @@
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|||
import pytest
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||||
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||||
from damask import Config
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class TestConfig:
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@pytest.mark.parametrize('flow_style',[None,True,False])
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def test_load_save_str(self,tmp_path,flow_style):
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||||
config = Config()
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config['A'] = 1
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config['B'] = [2,3]
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config.save(tmp_path/'config.yaml',default_flow_style=flow_style)
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||||
assert Config.load(tmp_path/'config.yaml') == config
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||||
def test_load_save_file(self,tmp_path):
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||||
config = Config()
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||||
config['A'] = 1
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||||
config['B'] = [2,3]
|
||||
with open(tmp_path/'config.yaml','w') as f:
|
||||
config.save(f)
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||||
with open(tmp_path/'config.yaml') as f:
|
||||
assert Config.load(f) == config
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||||
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||||
def test_repr(self,tmp_path):
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||||
config = Config()
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||||
config['A'] = 1
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||||
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