molstar
Version:
A comprehensive macromolecular library.
59 lines (58 loc) • 2.79 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;
const db_1 = require("../../../../mol-data/db");
const cif_1 = require("../../../../mol-io/writer/cif");
const utils_1 = require("./utils");
var CifCategory = cif_1.CifWriter.Category;
exports._chem_comp = {
name: 'chem_comp',
instance({ firstModel, structures, cache }) {
const chem_comp = (0, utils_1.getModelMmCifCategory)(structures[0].model, 'chem_comp');
if (!chem_comp)
return CifCategory.Empty;
const { id } = chem_comp;
const names = cache.uniqueResidueNames || (cache.uniqueResidueNames = (0, utils_1.getUniqueResidueNamesFromStructures)(structures));
const indices = db_1.Column.indicesOf(id, id => names.has(id));
return CifCategory.ofTable(chem_comp, indices);
}
};
exports._chem_comp_bond = {
name: 'chem_comp_bond',
instance({ firstModel, structures, cache }) {
const chem_comp_bond = (0, utils_1.getModelMmCifCategory)(structures[0].model, 'chem_comp_bond');
if (!chem_comp_bond)
return CifCategory.Empty;
const { comp_id } = chem_comp_bond;
const names = cache.uniqueResidueNames || (cache.uniqueResidueNames = (0, utils_1.getUniqueResidueNamesFromStructures)(structures));
const indices = db_1.Column.indicesOf(comp_id, id => names.has(id));
return CifCategory.ofTable(chem_comp_bond, indices);
}
};
exports._pdbx_chem_comp_identifier = {
name: 'pdbx_chem_comp_identifier',
instance({ firstModel, structures, cache }) {
const pdbx_chem_comp_identifier = (0, utils_1.getModelMmCifCategory)(firstModel, 'pdbx_chem_comp_identifier');
if (!pdbx_chem_comp_identifier)
return CifCategory.Empty;
const { comp_id } = pdbx_chem_comp_identifier;
const names = cache.uniqueResidueNames || (cache.uniqueResidueNames = (0, utils_1.getUniqueResidueNamesFromStructures)(structures));
const indices = db_1.Column.indicesOf(comp_id, id => names.has(id));
return CifCategory.ofTable(pdbx_chem_comp_identifier, indices);
}
};
exports._pdbx_nonpoly_scheme = {
name: 'pdbx_nonpoly_scheme',
instance({ firstModel, structures, cache }) {
const 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);
}
};