molstar 4.2.0 → 4.4.0

package/lib/commonjs/mol-model-formats/structure/pdb/anisotropic.js

@@ -5,7 +5,9 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.addAnisotropic = exports.getAnisotropic = exports.getAnisotropicTemplate = void 0;
+exports.getAnisotropicTemplate = getAnisotropicTemplate;
+exports.getAnisotropic = getAnisotropic;
+exports.addAnisotropic = addAnisotropic;
 const cif_1 = require("../../../mol-io/reader/cif");
 const tokenizer_1 = require("../../../mol-io/reader/common/text/tokenizer");
 const util_1 = require("../util");
@@ -37,7 +39,6 @@ function getAnisotropicTemplate(data, count) {
         pdbx_auth_atom_id: ts(),
     };
 }
-exports.getAnisotropicTemplate = getAnisotropicTemplate;
 function getAnisotropic(sites) {
     const pdbx_auth_seq_id = cif_1.CifField.ofTokens(sites.pdbx_auth_seq_id);
     const pdbx_auth_comp_id = cif_1.CifField.ofTokens(sites.pdbx_auth_comp_id);
@@ -65,7 +66,6 @@ function getAnisotropic(sites) {
     fields['U[2][3]'] = cif_1.CifField.ofNumbers(sites['U[2][3]']);
     return fields;
 }
-exports.getAnisotropic = getAnisotropic;
 function addAnisotropic(sites, model, data, s, e) {
     const { data: str } = data;
     const length = e - s;
@@ -126,4 +126,3 @@ function addAnisotropic(sites, model, data, s, e) {
     // TODO
     sites.index++;
 }
-exports.addAnisotropic = addAnisotropic;

package/lib/commonjs/mol-model-formats/structure/pdb/assembly.js

@@ -5,7 +5,9 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.parseMtrix = exports.parseRemark350 = exports.parseCryst1 = void 0;
+exports.parseCryst1 = parseCryst1;
+exports.parseRemark350 = parseRemark350;
+exports.parseMtrix = parseMtrix;
 const cif_1 = require("../../../mol-io/reader/cif");
 const linear_algebra_1 = require("../../../mol-math/linear-algebra");
 function parseCryst1(id, record) {
@@ -41,7 +43,6 @@ function parseCryst1(id, record) {
     };
     return [cif_1.CifCategory.ofFields('cell', cell), cif_1.CifCategory.ofFields('symmetry', symmetry)];
 }
-exports.parseCryst1 = parseCryst1;
 function PdbAssembly(id, details) {
     return { id, details, groups: [] };
 }
@@ -170,7 +171,6 @@ function parseRemark350(lines, lineStart, lineEnd) {
         cif_1.CifCategory.ofFields('pdbx_struct_oper_list', pdbx_struct_oper_list)
     ];
 }
-exports.parseRemark350 = parseRemark350;
 function parseMtrix(lines, lineStart, lineEnd) {
     const matrices = [];
     let matrix;
@@ -221,4 +221,3 @@ function parseMtrix(lines, lineStart, lineEnd) {
     }
     return [cif_1.CifCategory.ofFields('struct_ncs_oper', struct_ncs_oper)];
 }
-exports.parseMtrix = parseMtrix;

package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.js

@@ -6,7 +6,9 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.addAtom = exports.getAtomSite = exports.getAtomSiteTemplate = void 0;
+exports.getAtomSiteTemplate = getAtomSiteTemplate;
+exports.getAtomSite = getAtomSite;
+exports.addAtom = addAtom;
 const cif_1 = require("../../../mol-io/reader/cif");
 const tokenizer_1 = require("../../../mol-io/reader/common/text/tokenizer");
 const util_1 = require("../util");
@@ -36,7 +38,6 @@ function getAtomSiteTemplate(data, count) {
         partial_charge: ts(),
     };
 }
-exports.getAtomSiteTemplate = getAtomSiteTemplate;
 function getAtomSite(sites, terIndices, options) {
     const pdbx_PDB_model_num = cif_1.CifField.ofStrings(sites.pdbx_PDB_model_num);
     const auth_asym_id = cif_1.CifField.ofTokens(sites.auth_asym_id);
@@ -164,7 +165,6 @@ function getAtomSite(sites, terIndices, options) {
         partial_charge: cif_1.CifField.ofTokens(sites.partial_charge)
     };
 }
-exports.getAtomSite = getAtomSite;
 function addAtom(sites, model, data, s, e, isPdbqt) {
     const { data: str } = data;
     const length = e - s;
@@ -240,4 +240,3 @@ function addAtom(sites, model, data, s, e, isPdbqt) {
     sites.pdbx_PDB_model_num[sites.index] = model;
     sites.index++;
 }
-exports.addAtom = addAtom;

package/lib/commonjs/mol-model-formats/structure/pdb/conect.js

@@ -6,7 +6,7 @@
  * @author Yakov Pechersky <ffxen158@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.parseConect = void 0;
+exports.parseConect = parseConect;
 const cif_1 = require("../../../mol-io/reader/cif");
 function parseConect(lines, lineStart, lineEnd, sites) {
     const idMap = {};
@@ -84,4 +84,3 @@ function parseConect(lines, lineStart, lineEnd, sites) {
     };
     return cif_1.CifCategory.ofFields('struct_conn', struct_conn);
 }
-exports.parseConect = parseConect;

package/lib/commonjs/mol-model-formats/structure/pdb/entity.js

@@ -5,7 +5,8 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.parseHetnam = exports.parseCmpnd = void 0;
+exports.parseCmpnd = parseCmpnd;
+exports.parseHetnam = parseHetnam;
 const Spec = {
     'MOL_ID': '',
     'MOLECULE': '',
@@ -84,7 +85,6 @@ function parseCmpnd(lines, lineStart, lineEnd) {
     }
     return singletons;
 }
-exports.parseCmpnd = parseCmpnd;
 function parseHetnam(lines, lineStart, lineEnd) {
     const getLine = (n) => lines.data.substring(lines.indices[2 * n], lines.indices[2 * n + 1]);
     const hetnams = new Map();
@@ -107,4 +107,3 @@ function parseHetnam(lines, lineStart, lineEnd) {
     }
     return hetnams;
 }
-exports.parseHetnam = parseHetnam;

package/lib/commonjs/mol-model-formats/structure/pdb/header.js

@@ -1,6 +1,6 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.addHeader = void 0;
+exports.addHeader = addHeader;
 function addHeader(data, s, e, header) {
     //     COLUMNS       DATA  TYPE     FIELD             DEFINITION
     // ------------------------------------------------------------------------------------
@@ -18,4 +18,3 @@ function addHeader(data, s, e, header) {
     header.dep_date = line.substring(50, 59).trim() || undefined;
     header.classification = line.substring(10, 50).trim() || undefined;
 }
-exports.addHeader = addHeader;

package/lib/commonjs/mol-model-formats/structure/pdb/secondary-structure.js

@@ -5,7 +5,8 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.parseSheet = exports.parseHelix = void 0;
+exports.parseHelix = parseHelix;
+exports.parseSheet = parseSheet;
 const cif_1 = require("../../../mol-io/reader/cif");
 const db_1 = require("../../../mol-data/db");
 const HelixTypes = {
@@ -106,7 +107,6 @@ function parseHelix(lines, lineStart, lineEnd) {
     };
     return cif_1.CifCategory.ofFields('struct_conf', struct_conf);
 }
-exports.parseHelix = parseHelix;
 function parseSheet(lines, lineStart, lineEnd) {
     const sheets = [];
     const getLine = (n) => lines.data.substring(lines.indices[2 * n], lines.indices[2 * n + 1]);
@@ -201,4 +201,3 @@ function parseSheet(lines, lineStart, lineEnd) {
     };
     return cif_1.CifCategory.ofFields('struct_sheet_range', struct_sheet_range);
 }
-exports.parseSheet = parseSheet;

package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js

@@ -7,7 +7,7 @@
  * @author Yana Rose <yana.v.rose@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.pdbToMmCif = void 0;
+exports.pdbToMmCif = pdbToMmCif;
 const string_1 = require("../../../mol-util/string");
 const cif_1 = require("../../../mol-io/reader/cif");
 const tokenizer_1 = require("../../../mol-io/reader/common/text/tokenizer");
@@ -254,4 +254,3 @@ async function pdbToMmCif(pdb) {
         categories
     };
 }
-exports.pdbToMmCif = pdbToMmCif;

package/lib/commonjs/mol-model-formats/structure/pdb.js

@@ -6,7 +6,8 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.trajectoryFromPDB = exports.PdbFormat = void 0;
+exports.PdbFormat = void 0;
+exports.trajectoryFromPDB = trajectoryFromPDB;
 const to_cif_1 = require("./pdb/to-cif");
 const mol_task_1 = require("../../mol-task");
 const mmcif_1 = require("./mmcif");
@@ -55,4 +56,3 @@ function trajectoryFromPDB(pdb) {
         return models;
     });
 }
-exports.trajectoryFromPDB = trajectoryFromPDB;

package/lib/commonjs/mol-model-formats/structure/prmtop.js

@@ -5,7 +5,8 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.topologyFromPrmtop = exports.PrmtopFormat = void 0;
+exports.PrmtopFormat = void 0;
+exports.topologyFromPrmtop = topologyFromPrmtop;
 const db_1 = require("../../mol-data/db");
 const types_1 = require("../../mol-model/structure/model/types");
 const topology_1 = require("../../mol-model/structure/topology/topology");
@@ -138,4 +139,3 @@ function topologyFromPrmtop(prmtop) {
         return topology_1.Topology.create(prmtop.title.join(' ') || 'PRMTOP', basic, bonds, format);
     });
 }
-exports.topologyFromPrmtop = topologyFromPrmtop;

package/lib/commonjs/mol-model-formats/structure/property/assembly.js

@@ -5,7 +5,9 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.getMatrices = exports.operatorGroupsProvider = exports.createAssemblies = void 0;
+exports.createAssemblies = createAssemblies;
+exports.operatorGroupsProvider = operatorGroupsProvider;
+exports.getMatrices = getMatrices;
 const linear_algebra_1 = require("../../../mol-math/linear-algebra");
 const symmetry_operator_1 = require("../../../mol-math/geometry/symmetry-operator");
 const symmetry_1 = require("../../../mol-model/structure/model/properties/symmetry");
@@ -21,7 +23,6 @@ function createAssemblies(pdbx_struct_assembly, pdbx_struct_assembly_gen, pdbx_s
     }
     return assemblies;
 }
-exports.createAssemblies = createAssemblies;
 function createAssembly(pdbx_struct_assembly, pdbx_struct_assembly_gen, index, matrices) {
     const id = pdbx_struct_assembly.id.value(index);
     const details = pdbx_struct_assembly.details.value(index);
@@ -54,7 +55,6 @@ function operatorGroupsProvider(generators, matrices) {
         return groups;
     };
 }
-exports.operatorGroupsProvider = operatorGroupsProvider;
 function getMatrices(pdbx_struct_oper_list) {
     const { id, matrix, vector, _schema } = pdbx_struct_oper_list;
     const matrices = new Map();
@@ -68,7 +68,6 @@ function getMatrices(pdbx_struct_oper_list) {
     }
     return matrices;
 }
-exports.getMatrices = getMatrices;
 function expandOperators(operatorList) {
     const ops = [];
     const currentOp = [];

package/lib/commonjs/mol-model-formats/structure/psf.js

@@ -5,7 +5,8 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.topologyFromPsf = exports.PsfFormat = void 0;
+exports.PsfFormat = void 0;
+exports.topologyFromPsf = topologyFromPsf;
 const db_1 = require("../../mol-data/db");
 const types_1 = require("../../mol-model/structure/model/types");
 const topology_1 = require("../../mol-model/structure/topology/topology");
@@ -115,4 +116,3 @@ function topologyFromPsf(psf) {
         return topology_1.Topology.create(psf.id, basic, bonds, format);
     });
 }
-exports.topologyFromPsf = topologyFromPsf;

package/lib/commonjs/mol-model-formats/structure/sdf.js

@@ -5,7 +5,8 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.trajectoryFromSdf = exports.SdfFormat = void 0;
+exports.SdfFormat = void 0;
+exports.trajectoryFromSdf = trajectoryFromSdf;
 const mol_task_1 = require("../../mol-task");
 const mol_1 = require("./mol");
 var SdfFormat;
@@ -22,4 +23,3 @@ var SdfFormat;
 function trajectoryFromSdf(mol) {
     return mol_task_1.Task.create('Parse SDF', ctx => (0, mol_1.getMolModels)(mol.molFile, SdfFormat.create(mol), ctx));
 }
-exports.trajectoryFromSdf = trajectoryFromSdf;

package/lib/commonjs/mol-model-formats/structure/top.js

@@ -5,7 +5,8 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.topologyFromTop = exports.TopFormat = void 0;
+exports.TopFormat = void 0;
+exports.topologyFromTop = topologyFromTop;
 const db_1 = require("../../mol-data/db");
 const types_1 = require("../../mol-model/structure/model/types");
 const topology_1 = require("../../mol-model/structure/topology/topology");
@@ -180,4 +181,3 @@ function topologyFromTop(top) {
         return topology_1.Topology.create(top.system || 'TOP', basic, bonds, format);
     });
 }
-exports.topologyFromTop = topologyFromTop;

package/lib/commonjs/mol-model-formats/structure/trr.js

@@ -5,7 +5,7 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.coordinatesFromTrr = void 0;
+exports.coordinatesFromTrr = coordinatesFromTrr;
 const mol_task_1 = require("../../mol-task");
 const coordinates_1 = require("../../mol-model/structure/coordinates");
 const cell_1 = require("../../mol-math/geometry/spacegroup/cell");
@@ -34,4 +34,3 @@ function coordinatesFromTrr(file) {
         return coordinates_1.Coordinates.create(frames, deltaTime, offsetTime);
     });
 }
-exports.coordinatesFromTrr = coordinatesFromTrr;

package/lib/commonjs/mol-model-formats/structure/util.js

@@ -5,7 +5,8 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.guessElementSymbolString = exports.guessElementSymbolTokens = void 0;
+exports.guessElementSymbolTokens = guessElementSymbolTokens;
+exports.guessElementSymbolString = guessElementSymbolString;
 const tokenizer_1 = require("../../mol-io/reader/common/text/tokenizer");
 function guessElementSymbolTokens(tokens, str, start, end) {
     let s = start, e = end - 1;
@@ -43,7 +44,6 @@ function guessElementSymbolTokens(tokens, str, start, end) {
         return tokenizer_1.TokenBuilder.add(tokens, s, s + 1);
     tokenizer_1.TokenBuilder.add(tokens, s, s); // no reasonable guess, add empty token
 }
-exports.guessElementSymbolTokens = guessElementSymbolTokens;
 const TwoCharElementNames = new Set(['NA', 'CL', 'FE', 'SI', 'BR', 'AS', 'LI']);
 const OneCharElementNames = new Set(['C', 'H', 'N', 'O', 'P', 'S', 'F', 'B']);
 const reTrimSpacesAndNumbers = /^[\s\d]+|[\s\d]+$/g;
@@ -74,4 +74,3 @@ function guessElementSymbolString(atomId, compId) {
         return atomId[0];
     return ''; // no reasonable guess, return empty string
 }
-exports.guessElementSymbolString = guessElementSymbolString;

package/lib/commonjs/mol-model-formats/structure/xtc.js

@@ -6,7 +6,7 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.coordinatesFromXtc = void 0;
+exports.coordinatesFromXtc = coordinatesFromXtc;
 const mol_task_1 = require("../../mol-task");
 const coordinates_1 = require("../../mol-model/structure/coordinates");
 const cell_1 = require("../../mol-math/geometry/spacegroup/cell");
@@ -35,4 +35,3 @@ function coordinatesFromXtc(file) {
         return coordinates_1.Coordinates.create(frames, deltaTime, offsetTime);
     });
 }
-exports.coordinatesFromXtc = coordinatesFromXtc;

package/lib/commonjs/mol-model-formats/structure/xyz.js

@@ -5,7 +5,8 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.trajectoryFromXyz = exports.XyzFormat = void 0;
+exports.XyzFormat = void 0;
+exports.trajectoryFromXyz = trajectoryFromXyz;
 const db_1 = require("../../mol-data/db");
 const mol_task_1 = require("../../mol-task");
 const parser_1 = require("./basic/parser");
@@ -85,4 +86,3 @@ var XyzFormat;
 function trajectoryFromXyz(mol) {
     return mol_task_1.Task.create('Parse XYZ', ctx => getModels(mol, ctx));
 }
-exports.trajectoryFromXyz = trajectoryFromXyz;

package/lib/commonjs/mol-model-formats/volume/ccp4.js

@@ -5,7 +5,9 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.Ccp4Format = exports.volumeFromCcp4 = exports.getCcp4Origin = void 0;
+exports.Ccp4Format = void 0;
+exports.getCcp4Origin = getCcp4Origin;
+exports.volumeFromCcp4 = volumeFromCcp4;
 const mol_task_1 = require("../../mol-task");
 const geometry_1 = require("../../mol-math/geometry");
 const linear_algebra_1 = require("../../mol-math/linear-algebra");
@@ -23,7 +25,6 @@ function getCcp4Origin(header) {
         return linear_algebra_1.Vec3.create(header.originX / (header.xLength / header.NX), header.originY / (header.yLength / header.NY), header.originZ / (header.zLength / header.NZ));
     }
 }
-exports.getCcp4Origin = getCcp4Origin;
 function getTypedArrayCtor(header) {
     const valueType = (0, parser_1.getCcp4ValueType)(header);
     switch (valueType) {
@@ -79,7 +80,6 @@ function volumeFromCcp4(source, params) {
         };
     });
 }
-exports.volumeFromCcp4 = volumeFromCcp4;
 var Ccp4Format;
 (function (Ccp4Format) {
     function is(x) {

package/lib/commonjs/mol-model-formats/volume/cube.js

@@ -5,7 +5,8 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.CubeFormat = exports.volumeFromCube = void 0;
+exports.CubeFormat = void 0;
+exports.volumeFromCube = volumeFromCube;
 const linear_algebra_1 = require("../../mol-math/linear-algebra");
 const mol_task_1 = require("../../mol-task");
 const array_1 = require("../../mol-util/array");
@@ -56,7 +57,6 @@ function volumeFromCube(source, params) {
         };
     });
 }
-exports.volumeFromCube = volumeFromCube;
 var CubeFormat;
 (function (CubeFormat) {
     function is(x) {

package/lib/commonjs/mol-model-formats/volume/density-server.js

@@ -5,7 +5,8 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.DscifFormat = exports.volumeFromDensityServerData = void 0;
+exports.DscifFormat = void 0;
+exports.volumeFromDensityServerData = volumeFromDensityServerData;
 const mol_task_1 = require("../../mol-task");
 const geometry_1 = require("../../mol-math/geometry");
 const linear_algebra_1 = require("../../mol-math/linear-algebra");
@@ -42,7 +43,6 @@ function volumeFromDensityServerData(source, params) {
         };
     });
 }
-exports.volumeFromDensityServerData = volumeFromDensityServerData;
 var DscifFormat;
 (function (DscifFormat) {
     function is(x) {

package/lib/commonjs/mol-model-formats/volume/dsn6.js

@@ -5,7 +5,8 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.Dsn6Format = exports.volumeFromDsn6 = void 0;
+exports.Dsn6Format = void 0;
+exports.volumeFromDsn6 = volumeFromDsn6;
 const mol_task_1 = require("../../mol-task");
 const geometry_1 = require("../../mol-math/geometry");
 const linear_algebra_1 = require("../../mol-math/linear-algebra");
@@ -46,7 +47,6 @@ function volumeFromDsn6(source, params) {
         };
     });
 }
-exports.volumeFromDsn6 = volumeFromDsn6;
 var Dsn6Format;
 (function (Dsn6Format) {
     function is(x) {

package/lib/commonjs/mol-model-formats/volume/dx.js

@@ -5,7 +5,8 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.DxFormat = exports.volumeFromDx = void 0;
+exports.DxFormat = void 0;
+exports.volumeFromDx = volumeFromDx;
 const linear_algebra_1 = require("../../mol-math/linear-algebra");
 const mol_task_1 = require("../../mol-task");
 const array_1 = require("../../mol-util/array");
@@ -37,7 +38,6 @@ function volumeFromDx(source, params) {
         };
     });
 }
-exports.volumeFromDx = volumeFromDx;
 var DxFormat;
 (function (DxFormat) {
     function is(x) {

package/lib/commonjs/mol-model-formats/volume/segmentation.js

@@ -6,7 +6,8 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.SegcifFormat = exports.volumeFromSegmentationData = void 0;
+exports.SegcifFormat = void 0;
+exports.volumeFromSegmentationData = volumeFromSegmentationData;
 const volume_1 = require("../../mol-model/volume");
 const mol_task_1 = require("../../mol-task");
 const geometry_1 = require("../../mol-math/geometry");
@@ -120,7 +121,6 @@ function volumeFromSegmentationData(source, params) {
         return v;
     });
 }
-exports.volumeFromSegmentationData = volumeFromSegmentationData;
 var SegcifFormat;
 (function (SegcifFormat) {
     function is(x) {

package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/area.js

@@ -6,7 +6,7 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.computeArea = void 0;
+exports.computeArea = computeArea;
 const common_1 = require("./common");
 // TODO
 // - iterate over units and elements
@@ -23,7 +23,6 @@ async function computeArea(runtime, ctx) {
         computeRange(ctx, i, Math.min(i + updateChunk, atomRadius.length));
     }
 }
-exports.computeArea = computeArea;
 function computeRange(ctx, begin, end) {
     const { structure, atomRadiusType, serialResidueIndex, area, spherePoints, scalingConstant, maxLookupRadius, probeSize } = ctx;
     const { lookup3d, serialMapping, unitIndexMap, units } = structure;

package/lib/commonjs/mol-model-props/computed/accessible-surface-area/shrake-rupley/radii.js

@@ -6,7 +6,7 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.assignRadiusForHeavyAtoms = void 0;
+exports.assignRadiusForHeavyAtoms = assignRadiusForHeavyAtoms;
 const common_1 = require("./common");
 const common_2 = require("../../../../mol-model/structure/structure/unit/bonds/common");
 const types_1 = require("../../../../mol-model/structure/model/types");
@@ -71,7 +71,6 @@ function assignRadiusForHeavyAtoms(ctx) {
         m += elements.length;
     }
 }
-exports.assignRadiusForHeavyAtoms = assignRadiusForHeavyAtoms;
 /**
  * Gets the van der Waals radius of the given atom following the values defined by Chothia (1976)
  * J.Mol.Biol.105,1-14. NOTE: the vdw values defined by the paper assume no Hydrogens and thus "inflates" slightly

package/lib/commonjs/mol-model-props/computed/chemistry/functional-group.js

@@ -5,7 +5,22 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.hasAromaticNeighbour = exports.hasPolarNeighbour = exports.isPolar = exports.isAcetamidine = exports.isGuanidine = exports.isCarboxylate = exports.isCarbonyl = exports.isHalocarbon = exports.isPhosphate = exports.isSulfate = exports.isSulfonicAcid = exports.isSulfonium = exports.isAmide = exports.isImide = exports.isTertiaryAmine = exports.isQuaternaryAmine = void 0;
+exports.isQuaternaryAmine = isQuaternaryAmine;
+exports.isTertiaryAmine = isTertiaryAmine;
+exports.isImide = isImide;
+exports.isAmide = isAmide;
+exports.isSulfonium = isSulfonium;
+exports.isSulfonicAcid = isSulfonicAcid;
+exports.isSulfate = isSulfate;
+exports.isPhosphate = isPhosphate;
+exports.isHalocarbon = isHalocarbon;
+exports.isCarbonyl = isCarbonyl;
+exports.isCarboxylate = isCarboxylate;
+exports.isGuanidine = isGuanidine;
+exports.isAcetamidine = isAcetamidine;
+exports.isPolar = isPolar;
+exports.hasPolarNeighbour = hasPolarNeighbour;
+exports.hasAromaticNeighbour = hasAromaticNeighbour;
 const types_1 = require("../../../mol-model/structure/model/properties/atomic/types");
 const types_2 = require("../../../mol-model/structure/model/types");
 const util_1 = require("./util");
@@ -35,7 +50,6 @@ function isQuaternaryAmine(structure, unit, index) {
         (0, util_1.bondCount)(structure, unit, index) === 4 &&
         (0, util_1.bondToElementCount)(structure, unit, index, "H" /* Elements.H */) === 0);
 }
-exports.isQuaternaryAmine = isQuaternaryAmine;
 /**
  * Nitrogen in a tertiary amine
  */
@@ -44,7 +58,6 @@ function isTertiaryAmine(structure, unit, index, idealValence) {
         (0, util_1.bondCount)(structure, unit, index) === 4 &&
         idealValence === 3);
 }
-exports.isTertiaryAmine = isTertiaryAmine;
 /**
  * Nitrogen in an imide
  */
@@ -56,7 +69,6 @@ function isImide(structure, unit, index) {
     }
     return flag;
 }
-exports.isImide = isImide;
 /**
  * Nitrogen in an amide
  */
@@ -68,7 +80,6 @@ function isAmide(structure, unit, index) {
     }
     return flag;
 }
-exports.isAmide = isAmide;
 /**
  * Sulfur in a sulfonium group
  */
@@ -77,7 +88,6 @@ function isSulfonium(structure, unit, index) {
         (0, util_1.bondCount)(structure, unit, index) === 3 &&
         (0, util_1.bondToElementCount)(structure, unit, index, "H" /* Elements.H */) === 0);
 }
-exports.isSulfonium = isSulfonium;
 /**
  * Sulfur in a sulfonic acid or sulfonate group
  */
@@ -85,7 +95,6 @@ function isSulfonicAcid(structure, unit, index) {
     return ((0, util_1.typeSymbol)(unit, index) === "S" /* Elements.S */ &&
         (0, util_1.bondToElementCount)(structure, unit, index, "O" /* Elements.O */) === 3);
 }
-exports.isSulfonicAcid = isSulfonicAcid;
 /**
  * Sulfur in a sulfate group
  */
@@ -93,7 +102,6 @@ function isSulfate(structure, unit, index) {
     return ((0, util_1.typeSymbol)(unit, index) === "S" /* Elements.S */ &&
         (0, util_1.bondToElementCount)(structure, unit, index, "O" /* Elements.O */) === 4);
 }
-exports.isSulfate = isSulfate;
 /**
  * Phosphor in a phosphate group
  */
@@ -101,7 +109,6 @@ function isPhosphate(structure, unit, index) {
     return ((0, util_1.typeSymbol)(unit, index) === "P" /* Elements.P */ &&
         (0, util_1.bondToElementCount)(structure, unit, index, "O" /* Elements.O */) === (0, util_1.bondCount)(structure, unit, index));
 }
-exports.isPhosphate = isPhosphate;
 /**
  * Halogen with one bond to a carbon
  */
@@ -110,7 +117,6 @@ function isHalocarbon(structure, unit, index) {
         (0, util_1.bondCount)(structure, unit, index) === 1 &&
         (0, util_1.bondToElementCount)(structure, unit, index, "C" /* Elements.C */) === 1);
 }
-exports.isHalocarbon = isHalocarbon;
 /**
  * Carbon in a carbonyl/acyl group
  *
@@ -129,7 +135,6 @@ function isCarbonyl(structure, unit, index) {
     }
     return flag;
 }
-exports.isCarbonyl = isCarbonyl;
 /**
  * Carbon in a carboxylate group
  */
@@ -147,7 +152,6 @@ function isCarboxylate(structure, unit, index) {
     }
     return terminalOxygenCount === 2;
 }
-exports.isCarboxylate = isCarboxylate;
 /**
  * Carbon in a guanidine group
  */
@@ -164,7 +168,6 @@ function isGuanidine(structure, unit, index) {
     }
     return terminalNitrogenCount === 2;
 }
-exports.isGuanidine = isGuanidine;
 /**
  * Carbon in a acetamidine group
  */
@@ -182,10 +185,8 @@ function isAcetamidine(structure, unit, index) {
     }
     return terminalNitrogenCount === 2;
 }
-exports.isAcetamidine = isAcetamidine;
 const PolarElements = new Set(['N', 'O', 'S', 'F', 'CL', 'BR', 'I']);
 function isPolar(element) { return PolarElements.has(element); }
-exports.isPolar = isPolar;
 function hasPolarNeighbour(structure, unit, index) {
     let flag = false;
     (0, util_1.eachBondedAtom)(structure, unit, index, (unit, index) => {
@@ -194,7 +195,6 @@ function hasPolarNeighbour(structure, unit, index) {
     });
     return flag;
 }
-exports.hasPolarNeighbour = hasPolarNeighbour;
 function hasAromaticNeighbour(structure, unit, index) {
     let flag = false;
     (0, util_1.eachBondedAtom)(structure, unit, index, (unit, index) => {
@@ -203,4 +203,3 @@ function hasAromaticNeighbour(structure, unit, index) {
     });
     return flag;
 }
-exports.hasAromaticNeighbour = hasAromaticNeighbour;