molstar
Version:
A comprehensive macromolecular library.
49 lines (48 loc) • 1.84 kB
TypeScript
/**
* Copyright (c) 2017-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
*/
import { SymmetryOperator } from '../../../../mol-math/geometry/symmetry-operator';
import { StructureQuery } from '../../query';
import { Model } from '../../model';
import { Spacegroup } from '../../../../mol-math/geometry';
import { Vec3 } from '../../../../mol-math/linear-algebra';
/** Determine an atom set and a list of operators that should be applied to that set */
export interface OperatorGroup {
readonly asymIds?: string[];
readonly selector: StructureQuery;
readonly operators: ReadonlyArray<SymmetryOperator>;
}
export type OperatorGroups = ReadonlyArray<OperatorGroup>;
export declare class Assembly {
private operatorsProvider;
readonly id: string;
readonly details: string;
private _operators;
get operatorGroups(): OperatorGroups;
constructor(id: string, details: string, operatorsProvider: () => OperatorGroups);
}
export declare namespace Assembly {
function create(id: string, details: string, operatorsProvider: () => OperatorGroups): Assembly;
}
interface Symmetry {
readonly assemblies: ReadonlyArray<Assembly>;
readonly spacegroup: Spacegroup;
readonly isNonStandardCrystalFrame: boolean;
readonly ncsOperators?: ReadonlyArray<SymmetryOperator>;
/**
* optionally cached operators from [-3, -3, -3] to [3, 3, 3]
* around reference point `ref` in fractional coordinates
*/
_operators_333?: {
ref: Vec3;
operators: SymmetryOperator[];
};
}
declare namespace Symmetry {
const Default: Symmetry;
function findAssembly(model: Model, id: string): Assembly | undefined;
function getUnitcellLabel(symmetry: Symmetry): string;
}
export { Symmetry };