molstar
Version:
A comprehensive macromolecular library.
63 lines • 3.18 kB
JavaScript
;
/**
* Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports._pdbx_nonpoly_scheme = exports._pdbx_chem_comp_identifier = exports._chem_comp_bond = exports._chem_comp = void 0;
var db_1 = require("../../../../mol-data/db");
var cif_1 = require("../../../../mol-io/writer/cif");
var utils_1 = require("./utils");
var CifCategory = cif_1.CifWriter.Category;
exports._chem_comp = {
name: 'chem_comp',
instance: function (_a) {
var firstModel = _a.firstModel, structures = _a.structures, cache = _a.cache;
var chem_comp = (0, utils_1.getModelMmCifCategory)(structures[0].model, 'chem_comp');
if (!chem_comp)
return CifCategory.Empty;
var id = chem_comp.id;
var names = cache.uniqueResidueNames || (cache.uniqueResidueNames = (0, utils_1.getUniqueResidueNamesFromStructures)(structures));
var indices = db_1.Column.indicesOf(id, function (id) { return names.has(id); });
return CifCategory.ofTable(chem_comp, indices);
}
};
exports._chem_comp_bond = {
name: 'chem_comp_bond',
instance: function (_a) {
var firstModel = _a.firstModel, structures = _a.structures, cache = _a.cache;
var chem_comp_bond = (0, utils_1.getModelMmCifCategory)(structures[0].model, 'chem_comp_bond');
if (!chem_comp_bond)
return CifCategory.Empty;
var comp_id = chem_comp_bond.comp_id;
var names = cache.uniqueResidueNames || (cache.uniqueResidueNames = (0, utils_1.getUniqueResidueNamesFromStructures)(structures));
var indices = db_1.Column.indicesOf(comp_id, function (id) { return names.has(id); });
return CifCategory.ofTable(chem_comp_bond, indices);
}
};
exports._pdbx_chem_comp_identifier = {
name: 'pdbx_chem_comp_identifier',
instance: function (_a) {
var firstModel = _a.firstModel, structures = _a.structures, cache = _a.cache;
var pdbx_chem_comp_identifier = (0, utils_1.getModelMmCifCategory)(firstModel, 'pdbx_chem_comp_identifier');
if (!pdbx_chem_comp_identifier)
return CifCategory.Empty;
var comp_id = pdbx_chem_comp_identifier.comp_id;
var names = cache.uniqueResidueNames || (cache.uniqueResidueNames = (0, utils_1.getUniqueResidueNamesFromStructures)(structures));
var indices = db_1.Column.indicesOf(comp_id, function (id) { return names.has(id); });
return CifCategory.ofTable(pdbx_chem_comp_identifier, indices);
}
};
exports._pdbx_nonpoly_scheme = {
name: 'pdbx_nonpoly_scheme',
instance: function (_a) {
var firstModel = _a.firstModel, structures = _a.structures, cache = _a.cache;
var pdbx_nonpoly_scheme = (0, utils_1.getModelMmCifCategory)(firstModel, 'pdbx_nonpoly_scheme');
if (!pdbx_nonpoly_scheme)
return CifCategory.Empty;
// TODO: filter?
return CifCategory.ofTable(pdbx_nonpoly_scheme);
}
};
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