def __init__(self):
self.build_order = []
self.parts = {} # dict of parts in this geometry
self.xsecs = {} # dict of cross-sections in this geometry
self.serial_fcdoc = None # serialized FreeCAD document for this geometry
self.mesh_verts = None # numpy array corresponding to the mesh vertices
self.mesh_tets = None # numpy array; each row contains the vertex indices in one tet
self.mesh_regions = None # 1D array; each entry is the region ID of the corresponding tet
self.mesh_id_dict = None # dictionary with part name keys mapping to region IDs
self.virtual_mesh_regions = None # Dict with 1D arrays; each entry specifies what tets belong to virtual region
self.materials_database = Materials()
def __init__(self):
"""
Class for a 3D geometry specification. It holds:
- parts is a dict of Part3D objects, keyed by the label of each Part3D object.
- build_order is a list of strings indicating the construction order.
"""
self.build_order = []
self.parts = {} # dict of parts in this geometry
self.serial_fcdoc = None # serialized FreeCAD document for this geometry
self.mesh_verts = None # numpy array corresponding to the mesh vertices
self.mesh_tets = None # numpy array; each row contains the vertex indices in one tet
self.mesh_regions = None # 1D array; each entry is the region ID of the corresponding tet
self.mesh_id_dict = None # dictionary with part name keys mapping to region IDs
self.materials_database = Materials()
def build_materials(
geo_data: Union[Geo2DData, Geo3DData],
materials_mapping: Dict[str, str],
materials: Optional[Materials] = None,
) -> MatData:
"""Build a MatData object.
Parameters
----------
geo_data : Union[Geo2DData, Geo3DData]
A 2D or 3D geometry class.
materials_mapping : dict
A mapping of parts to materials.
materials : Materials
A Materials class, representing a materials library. If you want to override
properties, use make_materials.
Returns
-------
MatData
Built object with materials information.
Raises
------
ValueError
If materials_mapping does not contain a key for a part in geo_data.
"""
if materials is None:
materials = Materials()
# We keep a copy of materials_mapping around, but also set the material property
# on all the parts
new_mapping = {}
for name, part in geo_data.parts.items():
if ":" in name:
old_name, _ = name.split(":")
new_mapping[name] = materials_mapping[old_name]
continue
if (name not in materials_mapping and not part.virtual
and not isinstance(part, LineString)):
raise ValueError(
f"materials_mapping does not contain material for part {name}")
mat = materials_mapping.get(name)
if mat is not None:
new_mapping[name] = mat
extra_materials = set(new_mapping.keys()) - set(geo_data.parts.keys())
if extra_materials:
warnings.warn(
f"{extra_materials} are provided in materials_mapping but not found in "
"geometry parts")
return MatData(materials, new_mapping)
def __init__(self):
"""
Class for a 3D geometry specification. It holds:
- parts is a dict of Part3D objects, keyed by the label of each Part3D object.
- build_order is a list of strings indicating the construction order.
"""
self.build_order = []
self.parts = {} # dict of parts in this geometry
self.serial_fcdoc = None # serialized FreeCAD document for this geometry
self.serial_mesh = None # Holding container for the serialized xml of the meshed geometry
self.serial_region_marker = None # Holding container for the serialized xml of the region
# marker function
self.fenics_ids = None # dictionary with part name keys mapping to fenics ids.
self.materials_database = Materials()
def test_materials_property_map():
int_map = DummyPartMap([0, 1])
str_map = DummyPartMap(["part1", "part2"])
part_materials1 = {0: "InAs", 1: "GaSb"}
part_materials2 = {"part1": "InAs", "part2": "Al"}
mat_lib = Materials(matDict={})
mat_lib.add_material(
"InAs",
"semi",
electronMass=0.026,
directBandGap=417.0,
valenceBandOffset=-590.0,
)
mat_lib.add_material("GaSb",
"semi",
electronMass=0.039,
directBandGap=812.0,
valenceBandOffset=-30.0)
mat_lib.add_material("Al", "metal", workFunction=4280.0)
prop_map1 = MaterialPropertyMap(int_map, part_materials1, mat_lib,
"electronMass")
assert prop_map1.get_part((1.0, 2.0)) == 1
assert np.all(prop_map1.get_part(-np.ones((2, 3))) == 0)
assert prop_map1((1.0, 2.0)) == mat_lib["GaSb"]["electronMass"]
assert np.all(
prop_map1(-np.ones((2, 3))) == mat_lib["InAs"]["electronMass"])
prop_map2 = MaterialPropertyMap(str_map,
part_materials2,
mat_lib,
"directBandGap",
eunit="eV",
fill_value=0.0)
assert prop_map2.get_part((1.0, 2.0)) == "part2"
assert np.all(prop_map2.get_part(-np.ones((2, 3))) == "part1")
assert prop_map2((1.0, 2.0)) == 0.0
assert np.all(
prop_map2(-np.ones((2, 3))) == mat_lib.find("InAs", "eV")
["directBandGap"])
def test_materials_property_map():
int_map = DummyPartMap([0, 1])
str_map = DummyPartMap(['part1', 'part2'])
part_materials1 = {0: 'InAs', 1: 'GaSb'}
part_materials2 = {'part1': 'InAs', 'part2': 'Al'}
mat_lib = Materials(matDict={})
mat_lib.add_material('InAs', 'semi', electronMass=0.026, directBandGap=417.,
valenceBandOffset=-590.)
mat_lib.add_material('GaSb', 'semi', electronMass=.039, directBandGap=812.,
valenceBandOffset=-30.)
mat_lib.add_material('Al', 'metal', workFunction=4280.)
prop_map1 = MaterialPropertyMap(int_map, part_materials1, mat_lib, 'electronMass')
assert prop_map1.get_part((1., 2.)) == 1
assert np.all(prop_map1.get_part(-np.ones((2, 3))) == 0)
assert prop_map1((1., 2.)) == mat_lib['GaSb']['electronMass']
assert np.all(prop_map1(-np.ones((2, 3))) == mat_lib['InAs']['electronMass'])
prop_map2 = MaterialPropertyMap(str_map, part_materials2, mat_lib, 'directBandGap', eunit='eV',
fill_value=0.)
assert prop_map2.get_part((1., 2.)) == 'part2'
assert np.all(prop_map2.get_part(-np.ones((2, 3))) == 'part1')
assert prop_map2((1., 2.)) == 0.
assert np.all(prop_map2(-np.ones((2, 3))) == mat_lib.find('InAs', 'eV')['directBandGap'])
def make_materials_library(material_properties: Dict[str, Dict]) -> Materials:
"""Make a Materials class instance with physical constants overridden by an input dictionary.
Parameters
----------
material_properties: dict
Override specific material properties by specifying
{'material':{'material_attribute':override_value}.
Returns
-------
The materials library with overriden properties.
"""
mat_lib = Materials()
if material_properties:
for material in material_properties:
mat_obj = mat_lib[material]
for attribute in material_properties[material]:
mat_obj[attribute] = material_properties[material][attribute]
mat_lib[material] = mat_obj
return mat_lib
def build_materials(
geo_data: Union[Geo2DData, Geo3DData],
materials_mapping: Dict[str, str],
materials: Materials = None,
) -> MatData:
"""Build a MatData object.
Parameters
----------
geo_data : Union[Geo2DData, Geo3DData]
A 2D or 3D geometry class.
materials_mapping : dict
A mapping of parts to materials.
materials : Materials
A Materials class, representing a materials library. If you want to override
properties, use make_materials.
Returns
-------
MatData
Built object with materials information.
Raises
------
ValueError
If materials_mapping does not contain a key for a part in geo_data.
"""
if materials is None:
materials = Materials()
# We keep a copy of materials_mapping around, but also set the material property
# on all the parts
for name, part in geo_data.parts.items():
if name not in materials_mapping and not part.virtual:
raise ValueError(
f"materials_mapping does not contain material for part {name}")
extra_materials = set(materials_mapping.keys()) - set(
geo_data.parts.keys())
if extra_materials:
warnings.warn(
f"{extra_materials} are provided in materials_mapping but not found in "
"geometry parts")
return MatData(materials, materials_mapping)