builder.ts

/**
 * 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)]); };
}