Python StructureLibrary.from_crystal_systems示例

示例#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)

示例#2

文件： test_structure_library.py 项目： 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

示例#3

文件： test_structure_library.py 项目： 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