molstar
Version:
A comprehensive macromolecular library.
68 lines (67 loc) • 2.59 kB
JavaScript
;
/**
* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.Script = Script;
const symbols_1 = require("./script/mol-script/symbols");
const parser_1 = require("./language/parser");
const transpile_1 = require("./transpile");
const structure_1 = require("../mol-model/structure");
const compiler_1 = require("./runtime/query/compiler");
const builder_1 = require("./language/builder");
const type_helpers_1 = require("../mol-util/type-helpers");
function Script(expression, language) {
return { expression, language };
}
(function (Script) {
Script.Info = {
'mol-script': 'Mol-Script',
'pymol': 'PyMOL',
'vmd': 'VMD',
'jmol': 'Jmol',
};
function is(x) {
return !!x && typeof x.expression === 'string' && !!x.language;
}
Script.is = is;
function areEqual(a, b) {
return a.language === b.language && a.expression === b.expression;
}
Script.areEqual = areEqual;
function toExpression(script) {
switch (script.language) {
case 'mol-script':
const parsed = (0, parser_1.parseMolScript)(script.expression);
if (parsed.length === 0)
throw new Error('No query');
return (0, symbols_1.transpileMolScript)(parsed[0]);
case 'pymol':
case 'jmol':
case 'vmd':
return (0, transpile_1.parse)(script.language, script.expression);
default:
(0, type_helpers_1.assertUnreachable)(script.language);
}
}
Script.toExpression = toExpression;
function toQuery(script) {
const expression = toExpression(script);
return (0, compiler_1.compile)(expression);
}
Script.toQuery = toQuery;
function toLoci(script, structure) {
const query = toQuery(script);
const result = query(new structure_1.QueryContext(structure));
return structure_1.StructureSelection.toLociWithSourceUnits(result);
}
Script.toLoci = toLoci;
function getStructureSelection(expr, structure, options) {
const e = typeof expr === 'function' ? expr(builder_1.MolScriptBuilder) : expr;
const query = (0, compiler_1.compile)(e);
return query(new structure_1.QueryContext(structure, options));
}
Script.getStructureSelection = getStructureSelection;
})(Script || (exports.Script = Script = {}));