Exemplos de StructureLibrary.from_crystal_systems em Python

Exemplo n.º 1

def test_from_systems_methods():
    identifiers = ["a", "b"]
    structures = [1, 2]
    systems = ["cubic", "hexagonal"]
    library = StructureLibrary.from_crystal_systems(identifiers,
                                                    structures,
                                                    systems,
                                                    resolution=2)

Exemplo n.º 2

Arquivo: test_structure_library.py Projeto: M0hsend/diffsims

def test_from_systems_methods():
    identifiers = ["a", "b"]
    structures = [1, 2]
    systems = ["cubic", "hexagonal"]
    library = StructureLibrary.from_crystal_systems(identifiers,
                                                    structures,
                                                    systems,
                                                    resolution=2,
                                                    equal="angle")
    assert len(library.struct_lib["a"][1]) < len(
        library.struct_lib["b"][1])  # cubic is less area the hexagonal

Exemplo n.º 3

Arquivo: test_structure_library.py Projeto: norskie/diffsims

def test_from_systems_methods():
    identifiers = ['a', 'b']
    structures = [1, 2]
    systems = ['cubic', 'hexagonal']
    library = StructureLibrary.from_crystal_systems(identifiers, structures, systems, resolution=2, equal='angle')
    assert len(library.struct_lib['a'][1]) < len(library.struct_lib['b'][1])  # cubic is less area the hexagonal