new names part 2
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@ -27,34 +27,34 @@ class ConfigMaterial(Config):
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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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@ -92,42 +92,42 @@ class ConfigMaterial(Config):
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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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@ -138,9 +138,9 @@ class ConfigMaterial(Config):
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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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@ -151,7 +151,7 @@ class ConfigMaterial(Config):
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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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