moyo-wasm API¶

Interfaces¶

Lattice¶

Properties¶

basis¶

basis: [number, number, number, number, number, number, number, number, number];

MoyoArithmeticCrystalClass¶

Properties¶

arithmetic_number¶

arithmetic_number: number;

bravais_class¶

bravais_class: string;

geometric_crystal_class¶

geometric_crystal_class: string;

symbol¶

symbol: string;

MoyoCell¶

Properties¶

lattice¶

lattice: Lattice;

numbers¶

numbers: number[];

positions¶

positions: [number, number, number][];

MoyoDataset¶

Properties¶

angle_tolerance¶

angle_tolerance: AngleTolerance;

hall_number¶

hall_number: number;

hm_symbol¶

hm_symbol: string;

mapping_std_prim¶

mapping_std_prim: number[];

number¶

number: number;

operations¶

operations: MoyoOperation[];

orbits¶

orbits: number[];

pearson_symbol¶

pearson_symbol: string;

prim_std_cell¶

prim_std_cell: MoyoCell;

prim_std_linear¶

prim_std_linear: [number, number, number, number, number, number, number, number, number];

prim_std_origin_shift¶

prim_std_origin_shift: [number, number, number];

site_symmetry_symbols¶

site_symmetry_symbols: string[];

std_cell¶

std_cell: MoyoCell;

std_linear¶

std_linear: [number, number, number, number, number, number, number, number, number];

std_origin_shift¶

std_origin_shift: [number, number, number];

std_rotation_matrix¶

std_rotation_matrix: [number, number, number, number, number, number, number, number, number];

symprec¶

symprec: number;

wyckoffs¶

wyckoffs: string[];

MoyoHallSymbolEntry¶

Properties¶

arithmetic_number¶

arithmetic_number: number;

centering¶

centering: MoyoCentering;

hall_number¶

hall_number: number;

hall_symbol¶

hall_symbol: string;

hm_full¶

hm_full: string;

hm_short¶

hm_short: string;

number¶

number: number;

setting¶

setting: string;

MoyoLayerArithmeticCrystalClass¶

Properties¶

arithmetic_number¶

arithmetic_number: number;

bravais_class¶

bravais_class: string;

geometric_crystal_class¶

geometric_crystal_class: string;

lattice_system¶

lattice_system: string;

symbol¶

symbol: string;

MoyoLayerGroupType¶

Properties¶

arithmetic_number¶

arithmetic_number: number;

arithmetic_symbol¶

arithmetic_symbol: string;

bravais_class¶

bravais_class: string;

crystal_system¶

crystal_system: string;

geometric_crystal_class¶

geometric_crystal_class: string;

hall_number¶

hall_number: number;

hm_full¶

hm_full: string;

hm_short¶

hm_short: string;

lattice_system¶

lattice_system: string;

number¶

number: number;

MoyoLayerHallSymbolEntry¶

Properties¶

arithmetic_number¶

arithmetic_number: number;

centering¶

centering: MoyoLayerCentering;

hall_number¶

hall_number: number;

hall_symbol¶

hall_symbol: string;

hm_full¶

hm_full: string;

hm_short¶

hm_short: string;

number¶

number: number;

setting¶

setting: string;

MoyoLayerWyckoffPosition¶

Properties¶

coordinates¶

coordinates: string;

Representative coordinate triplet (e.g. x,y,z).

letter¶

letter: string;

Wyckoff letter.

multiplicity¶

multiplicity: number;

Multiplicity in the conventional layer cell.

site_symmetry¶

site_symmetry: string;

Site-symmetry symbol.

MoyoMagneticHallSymbolEntry¶

Properties¶

magnetic_hall_symbol¶

magnetic_hall_symbol: string;

uni_number¶

uni_number: number;

MoyoMagneticOperation¶

Properties¶

rotation¶

rotation: [number, number, number, number, number, number, number, number, number];

time_reversal¶

time_reversal: boolean;

translation¶

translation: [number, number, number];

MoyoMagneticSpaceGroupType¶

Properties¶

bns_number¶

bns_number: string;

construct_type¶

construct_type: number;

litvin_number¶

litvin_number: number;

number¶

number: number;

og_number¶

og_number: string;

uni_number¶

uni_number: number;

MoyoOperation¶

Properties¶

rotation¶

rotation: [number, number, number, number, number, number, number, number, number];

translation¶

translation: [number, number, number];

MoyoSpaceGroupType¶

Properties¶

arithmetic_number¶

arithmetic_number: number;

arithmetic_symbol¶

arithmetic_symbol: string;

bravais_class¶

bravais_class: string;

crystal_family¶

crystal_family: string;

crystal_system¶

crystal_system: string;

geometric_crystal_class¶

geometric_crystal_class: string;

hall_number¶

hall_number: number;

hm_full¶

hm_full: string;

hm_short¶

hm_short: string;

lattice_system¶

lattice_system: string;

number¶

number: number;

MoyoWyckoffPosition¶

Properties¶

coordinates¶

coordinates: string;

Representative coordinate triplet (e.g. x,y,z).

letter¶

letter: string;

Wyckoff letter.

multiplicity¶

multiplicity: number;

Multiplicity in the conventional cell.

site_symmetry¶

site_symmetry: string;

Site-symmetry symbol.

Type Aliases¶

AngleTolerance¶

type AngleTolerance = 
  | {
  type: "Radian";
  value: number;
}
  | {
  type: "Default";
};

MoyoCentering¶

type MoyoCentering = "P" | "A" | "B" | "C" | "I" | "R" | "F";

MoyoLayerCentering¶

type MoyoLayerCentering = "P" | "C";

MoyoLayerSetting¶

type MoyoLayerSetting = 
  | {
  type: "Spglib";
}
  | {
  type: "Standard";
}
  | {
  type: "HallNumber";
  value: number;
};

MoyoSetting¶

type MoyoSetting = 
  | {
  type: "Spglib";
}
  | {
  type: "Standard";
}
  | {
  type: "HallNumber";
  value: number;
};

Functions¶

analyze_cell()¶

function analyze_cell(
   cell_json, 
   symprec, 
   setting): MoyoDataset;

Analyze the symmetry of a crystal structure and return the full dataset.

cell_json is a JSON-encoded [MoyoCell] (row-major lattice.basis, fractional positions, atomic numbers). symprec is the distance tolerance (in the same length unit as the lattice). setting selects the standardization convention: "Spglib" for spglib-compatible settings, anything else (e.g. "Standard") for the ITA standard setting.

Parameters¶

Parameter	Type
`cell_json`	`string`
`symprec`	`number`
`setting`	`string`

Returns¶

MoyoDataset

arithmetic_crystal_class()¶

function arithmetic_crystal_class(arithmetic_number): MoyoArithmeticCrystalClass;

Return the arithmetic-crystal-class entry for the given arithmetic_number (1 - 73).

Parameters¶

Parameter	Type
`arithmetic_number`	`number`

Returns¶

MoyoArithmeticCrystalClass

hall_symbol_entries_from_number()¶

function hall_symbol_entries_from_number(number): MoyoHallSymbolEntry[];

Return all Hall-symbol entries for the given ITA space-group number (1 - 230), ordered by Hall number. Each entry corresponds to one setting of the space group.

Parameters¶

Parameter	Type
`number`	`number`

Returns¶

MoyoHallSymbolEntry[]

hall_symbol_entry()¶

function hall_symbol_entry(hall_number): MoyoHallSymbolEntry;

Return the Hall-symbol entry for the given hall_number (1 - 530).

Parameters¶

Parameter	Type
`hall_number`	`number`

Returns¶

MoyoHallSymbolEntry

init()¶

function init(module_or_path?): Promise<InitOutput>;

If module_or_path is {RequestInfo} or {URL}, makes a request and for everything else, calls WebAssembly.instantiate directly.

Parameters¶

Parameter	Type	Description
`module_or_path?`	\| `InitInput` \| `Promise`\<`InitInput`> \| { `module_or_path`: InitInput \| Promise\<InitInput>; }	Passing `InitInput` directly is deprecated.

Returns¶

Promise\<InitOutput>

initSync()¶

function initSync(module): InitOutput;

Instantiates the given module, which can either be bytes or a precompiled WebAssembly.Module.

Parameters¶

Parameter	Type	Description
`module`	\| `SyncInitInput` \| { `module`: `SyncInitInput`; }	Passing `SyncInitInput` directly is deprecated.

Returns¶

InitOutput

layer_arithmetic_crystal_class()¶

function layer_arithmetic_crystal_class(arithmetic_number): MoyoLayerArithmeticCrystalClass;

Return the layer arithmetic-crystal-class entry for the given arithmetic_number (1 - 43).

Parameters¶

Parameter	Type
`arithmetic_number`	`number`

Returns¶

MoyoLayerArithmeticCrystalClass

layer_group_type()¶

function layer_group_type(number): MoyoLayerGroupType;

Return the layer-group-type description for the given number (1 - 80).

Parameters¶

Parameter	Type
`number`	`number`

Returns¶

MoyoLayerGroupType

layer_hall_symbol_entries_from_number()¶

function layer_hall_symbol_entries_from_number(number): MoyoLayerHallSymbolEntry[];

Return all layer Hall-symbol entries for the given layer-group number (1 - 80), ordered by Hall number. Each entry corresponds to one setting of the layer group.

Parameters¶

Parameter	Type
`number`	`number`

Returns¶

MoyoLayerHallSymbolEntry[]

layer_hall_symbol_entry()¶

function layer_hall_symbol_entry(hall_number): MoyoLayerHallSymbolEntry;

Return the layer Hall-symbol entry for the given hall_number (1 - 116).

Parameters¶

Parameter	Type
`hall_number`	`number`

Returns¶

MoyoLayerHallSymbolEntry

layer_wyckoff_positions()¶

function layer_wyckoff_positions(hall_number): MoyoLayerWyckoffPosition[];

Return all Wyckoff positions for the given layer Hall number (1 - 116), ordered general-position-first then descending multiplicity. Returns an empty array for unknown Hall numbers.

Parameters¶

Parameter	Type
`hall_number`	`number`

Returns¶

MoyoLayerWyckoffPosition[]

magnetic_hall_symbol_entry()¶

function magnetic_hall_symbol_entry(uni_number): MoyoMagneticHallSymbolEntry;

Return the magnetic Hall-symbol entry for the given uni_number (1 - 1651).

Parameters¶

Parameter	Type
`uni_number`	`number`

Returns¶

MoyoMagneticHallSymbolEntry

magnetic_operations_from_uni_number()¶

function magnetic_operations_from_uni_number(uni_number, primitive): MoyoMagneticOperation[];

Return magnetic symmetry operations for the given uni_number (1 - 1651).

Parameters¶

Parameter	Type
`uni_number`	`number`
`primitive`	`boolean`

Returns¶

MoyoMagneticOperation[]

magnetic_space_group_type()¶

function magnetic_space_group_type(uni_number): MoyoMagneticSpaceGroupType;

Return the magnetic-space-group-type description for the given uni_number (1 - 1651).

Parameters¶

Parameter	Type
`uni_number`	`number`

Returns¶

MoyoMagneticSpaceGroupType

operations_from_layer_number()¶

function operations_from_layer_number(
   number, 
   setting, 
   primitive): MoyoOperation[];

Return symmetry operations for the given layer-group number (1 - 80).

Parameters¶

Parameter	Type
`number`	`number`
`setting`	`MoyoLayerSetting`
`primitive`	`boolean`

Returns¶

MoyoOperation[]

operations_from_number()¶

function operations_from_number(
   number, 
   setting, 
   primitive): MoyoOperation[];

Return symmetry operations for the given space-group ITA number.

Parameters¶

Parameter	Type
`number`	`number`
`setting`	`MoyoSetting`
`primitive`	`boolean`

Returns¶

MoyoOperation[]

space_group_type()¶

function space_group_type(number): MoyoSpaceGroupType;

Return the space-group-type description for the given ITA number (1 - 230).

Parameters¶

Parameter	Type
`number`	`number`

Returns¶

MoyoSpaceGroupType

wyckoff_positions()¶

function wyckoff_positions(hall_number): MoyoWyckoffPosition[];

Return all Wyckoff positions for the given hall_number (1 - 530), ordered general-position-first then descending multiplicity. Returns an empty array for unknown Hall numbers.

Parameters¶

Parameter	Type
`hall_number`	`number`

Returns¶

MoyoWyckoffPosition[]