TmMolStar/src/mol-script/transpilers/rasmol/operators.ts

/*
 * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
 * @author Panagiotis Tourlas <panagiot_tourlov@hotmail.com>
 *
 * @author Koya Sakuma
 * This module is based on jmol transpiler from MolQL and modified in similar manner as pymol and vmd tranpilers.                                             \
 */


import * as P from '../../../mol-util/monadic-parser';
import * as h from '../helper';
import { MolScriptBuilder } from '../../../mol-script/language/builder';
const B = MolScriptBuilder;
import { OperatorList } from '../types';
import { Expression } from '../../language/expression';


export const operators: OperatorList = [
    {
        '@desc': 'Selects atoms that are not included in s1.',
        '@examples': ['not ARG'],
        name: 'not',
        type: h.prefix,
        rule: P.MonadicParser.alt(P.MonadicParser.regex(/NOT/i).skip(P.MonadicParser.whitespace), P.MonadicParser.string('!').skip(P.MonadicParser.optWhitespace)),
        map: (op, selection) => h.invertExpr(selection),
    },
    {
        '@desc': 'Selects atoms included in both s1 and s2.',
        '@examples': ['ASP and .CA'],
        name: 'and',
        type: h.binaryLeft,
        rule: h.infixOp(/AND|&/i),
        map: (op, selection, by) => B.struct.modifier.intersectBy({ 0: selection, by })
    },
    {
        '@desc': 'Selects atoms included in either s1 or s2.',
        '@examples': ['ASP or GLU'],
        name: 'or',
        type: h.binaryLeft,
        rule: h.infixOp(/OR|\||\|\|/i),
        map: (op, s1, s2) => B.struct.combinator.merge([s1, s2])
    },
    {
        '@desc': 'Selects atoms within a specified distance of a selection',
        '@examples': ['within 5 of name FE'],
        name: 'within',
        type: h.prefix,
        rule: h.prefixOp(/within\s+([-+]?[0-9]*\.?[0-9]+)\s+of/, 1).map((x: any) => parseFloat(x)),
        map: (radius: number, selection: Expression) => {
            return B.struct.modifier.includeSurroundings({ 0: selection, radius });
        }
    },
];