casm.project.AttributeInfo

class casm.project.AttributeInfo(filename)

Contains the atom and molecule attributes’ information self.atom_type: List[str] - Contains the atom types self.atom_dofs: Dict{Dict{List[float or int]}} - Contains dofs for all the atoms in the structure.json self.mol_type: List[str] - Contains the molecule types self.mol_dofs: Dict{Dict{List[float or int]}} - Contains dofs for the molecules Look the example below for clarity regarding object properties

For example consider a Cmagspin dof for NaFeO2 system self.atom_type: [Na, Fe, O, O] self.atom_dofs: {‘Cmagspin’:{‘value’: [[0],[-1],[0],[0]]}} self.mol_type: [Na, Fe-, O, O] self.mol_dofs: {‘Cmagspin’: {‘value’: [[0],[0],[0],[0]]}}

Constructs the AttributeInfo object by reading the structure.json file

Parameters

filename (string (structure.json file)) –

__init__(filename)

Constructs the AttributeInfo object by reading the structure.json file

Parameters

filename (string (structure.json file)) –

Methods

__init__(filename)	Constructs the AttributeInfo object by reading the structure.json file
read(filename)	Reads the attribute information from a CASM structure.json file