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- /**
- * Copyright (c) 2018 Mol* contributors, licensed under MIT, See LICENSE file for more info.
- *
- * @author David Sehnal <david.sehnal@gmail.com>
- */
- import { Expression } from './expression';
- import { MSymbol } from './symbol';
- import { MolScriptSymbolTable as SymbolTable } from './symbol-table';
- export namespace MolScriptBuilder {
- export const core = SymbolTable.core;
- export const struct = SymbolTable.structureQuery;
- export const internal = SymbolTable.internal;
- /** Atom-name constructor */
- export function atomName(s: string) { return struct.type.atomName([s]); }
- /** Element-symbol constructor */
- export function es(s: string) { return struct.type.elementSymbol([s]); }
- /** List constructor */
- export function list(...xs: Expression[]) { return core.type.list(xs); }
- /** Set constructor */
- export function set(...xs: Expression[]) { return core.type.set(xs); }
- /** RegEx constructor */
- export function re(pattern: string, flags?: string) { return core.type.regex([pattern, flags]); }
- /** Function constructor */
- export function fn(x: Expression) { return core.ctrl.fn([x]); }
- export function evaluate(x: Expression) { return core.ctrl.eval([x]); }
- const _acp = struct.atomProperty.core, _ammp = struct.atomProperty.macromolecular, _atp = struct.atomProperty.topology;
- /** atom core property */
- export function acp(p: keyof typeof _acp) { return (_acp[p] as MSymbol<any>)(); };
- /** atom topology property */
- export function atp(p: keyof typeof _atp) { return (_atp[p] as MSymbol<any>)(); };
- /** atom macromolecular property */
- export function ammp(p: keyof typeof _ammp) { return (_ammp[p] as MSymbol<any>)(); };
- const _aps = struct.atomSet.propertySet;
- /** atom core property set */
- export function acpSet(p: keyof typeof _acp) { return _aps([acp(p)]); };
- /** atom topology property set */
- export function atpSet(p: keyof typeof _atp) { return _aps([atp(p)]); };
- /** atom macromolecular property set */
- export function ammpSet(p: keyof typeof _ammp) { return _aps([ammp(p)]); };
- }
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