Class EnvironmentIndexer

constructor

• new EnvironmentIndexer(mode, structures, environments?): EnvironmentIndexer

• Create a new EnvironmentIndexer for the given set of structures and environments.

  Parameters

  • mode: DisplayMode

    should we display atomic or structure properties
  • structures: Structure[] | UserStructure[]

    structures used in the current dataset
  • Optional environments: Environment[]

    environments used in the current dataset

  Returns EnvironmentIndexer

mode

activeAtoms

• activeAtoms(structure): number[]

• Get the indexes of atoms actually part of the environments for this structure

  Parameters

  • structure: number

  Returns number[]

activeStructures

• activeStructures(): number[]

• Get the indexes of structure containing at least one atoms in the set of active environments for this structure

  Returns number[]

atomsCount

• atomsCount(structure): number

• Get the total number of atom in the structure with given index

  Parameters

  • structure: number

  Returns number

from_environment

• from_environment(environment): Indexes

• Get a full set of indexes from the global environment index

  Parameters

  • environment: number

    global index of an environment

  Returns Indexes

  full Indexes, containing the corresponding structure / atom indexes

from_structure_atom

• from_structure_atom(structure, atom?): undefined | Indexes

• Get a full set of indexes from the structure/atom indexes

  Parameters

  • structure: number

    index of the structure in the full structure list
  • Optional atom: number

    index of the atom in the structure

  Returns undefined | Indexes

  an Indexes instance, containing the global environment index; or undefined if there is no environment corresponding to the given atom in the given structure

hasEnvironments

• hasEnvironments(): boolean

• Does this Indexer knows about atom-centered environments?

  Returns boolean

structuresCount

• structuresCount(): number

• Get the total number of structures we know about

  Returns number