molstar 4.3.0 → 4.4.1

package/lib/commonjs/mol-model/structure/model/properties/atomic/measures.js

@@ -5,7 +5,10 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.AtomNumber = exports.AtomWeight = exports.VdwRadius = exports.DefaultAtomNumber = exports.DefaultAtomWeight = exports.DefaultVdwRadius = exports.ElementAtomWeights = exports.ElementVdwRadii = exports.AtomicNumbers = void 0;
+exports.DefaultAtomNumber = exports.DefaultAtomWeight = exports.DefaultVdwRadius = exports.ElementAtomWeights = exports.ElementVdwRadii = exports.AtomicNumbers = void 0;
+exports.VdwRadius = VdwRadius;
+exports.AtomWeight = AtomWeight;
+exports.AtomNumber = AtomNumber;
 exports.AtomicNumbers = {
     'H': 1, 'D': 1, 'T': 1, 'HE': 2, 'LI': 3, 'BE': 4, 'B': 5, 'C': 6, 'N': 7, 'O': 8, 'F': 9, 'NE': 10, 'NA': 11, 'MG': 12, 'AL': 13, 'SI': 14, 'P': 15, 'S': 16, 'CL': 17, 'AR': 18, 'K': 19, 'CA': 20, 'SC': 21, 'TI': 22, 'V': 23, 'CR': 24, 'MN': 25, 'FE': 26, 'CO': 27, 'NI': 28, 'CU': 29, 'ZN': 30, 'GA': 31, 'GE': 32, 'AS': 33, 'SE': 34, 'BR': 35, 'KR': 36, 'RB': 37, 'SR': 38, 'Y': 39, 'ZR': 40, 'NB': 41, 'MO': 42, 'TC': 43, 'RU': 44, 'RH': 45, 'PD': 46, 'AG': 47, 'CD': 48, 'IN': 49, 'SN': 50, 'SB': 51, 'TE': 52, 'I': 53, 'XE': 54, 'CS': 55, 'BA': 56, 'LA': 57, 'CE': 58, 'PR': 59, 'ND': 60, 'PM': 61, 'SM': 62, 'EU': 63, 'GD': 64, 'TB': 65, 'DY': 66, 'HO': 67, 'ER': 68, 'TM': 69, 'YB': 70, 'LU': 71, 'HF': 72, 'TA': 73, 'W': 74, 'RE': 75, 'OS': 76, 'IR': 77, 'PT': 78, 'AU': 79, 'HG': 80, 'TL': 81, 'PB': 82, 'BI': 83, 'PO': 84, 'AT': 85, 'RN': 86, 'FR': 87, 'RA': 88, 'AC': 89, 'TH': 90, 'PA': 91, 'U': 92, 'NP': 93, 'PU': 94, 'AM': 95, 'CM': 96, 'BK': 97, 'CF': 98, 'ES': 99, 'FM': 100, 'MD': 101, 'NO': 102, 'LR': 103, 'RF': 104, 'DB': 105, 'SG': 106, 'BH': 107, 'HS': 108, 'MT': 109
 };
@@ -24,14 +27,11 @@ function VdwRadius(element) {
     const i = exports.AtomicNumbers[element];
     return i === void 0 ? exports.DefaultVdwRadius : exports.ElementVdwRadii[i];
 }
-exports.VdwRadius = VdwRadius;
 function AtomWeight(element) {
     const i = exports.AtomicNumbers[element];
     return i === void 0 ? exports.DefaultAtomWeight : exports.ElementAtomWeights[i];
 }
-exports.AtomWeight = AtomWeight;
 function AtomNumber(element) {
     const i = exports.AtomicNumbers[element];
     return i === void 0 ? exports.DefaultAtomNumber : i;
 }
-exports.AtomNumber = AtomNumber;

package/lib/commonjs/mol-model/structure/model/properties/atomic/types.js

@@ -5,35 +5,40 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.isNonmetal = exports.isMetal = exports.isActinide = exports.isLanthanide = exports.isTransitionMetal = exports.isHalogen = exports.Halogens = exports.isMetalloid = exports.Metalloids = exports.isPostTransitionMetal = exports.PostTransitionMetals = exports.isNobleGas = exports.NobleGases = exports.isDiatomicNonmetal = exports.DiatomicNonmetals = exports.isPolyatomicNonmetal = exports.PolyatomicNonmetals = exports.isAlkalineEarthMetal = exports.AlkalineEarthMetals = exports.isAlkaliMetal = exports.AlkaliMetals = exports.ElementNames = void 0;
+exports.Halogens = exports.Metalloids = exports.PostTransitionMetals = exports.NobleGases = exports.DiatomicNonmetals = exports.PolyatomicNonmetals = exports.AlkalineEarthMetals = exports.AlkaliMetals = exports.ElementNames = void 0;
+exports.isAlkaliMetal = isAlkaliMetal;
+exports.isAlkalineEarthMetal = isAlkalineEarthMetal;
+exports.isPolyatomicNonmetal = isPolyatomicNonmetal;
+exports.isDiatomicNonmetal = isDiatomicNonmetal;
+exports.isNobleGas = isNobleGas;
+exports.isPostTransitionMetal = isPostTransitionMetal;
+exports.isMetalloid = isMetalloid;
+exports.isHalogen = isHalogen;
+exports.isTransitionMetal = isTransitionMetal;
+exports.isLanthanide = isLanthanide;
+exports.isActinide = isActinide;
+exports.isMetal = isMetal;
+exports.isNonmetal = isNonmetal;
 const measures_1 = require("./measures");
 exports.ElementNames = {
     H: 'Hydrogen', HE: 'Helium', LI: 'Lithium', BE: 'Beryllium', B: 'Boron', C: 'Carbon', N: 'Nitrogen', O: 'Oxygen', F: 'Fluorine', NE: 'Neon', NA: 'Sodium', MG: 'Magnesium', AL: 'Aluminum', SI: 'Silicon', P: 'Phosphorus', S: 'Sulfur', CL: 'Chlorine', AR: 'Argon', K: 'Potassium', CA: 'Calcium', SC: 'Scandium', TI: 'Titanium', V: 'Vanadium', CR: 'Chromium', MN: 'Manganese', FE: 'Iron', CO: 'Cobalt', NI: 'Nickel', CU: 'Copper', ZN: 'Zinc', GA: 'Gallium', GE: 'Germanium', AS: 'Arsenic', SE: 'Selenium', BR: 'Bromine', KR: 'Krypton', RB: 'Rubidium', SR: 'Strontium', Y: 'Yttrium', ZR: 'Zirconium', NB: 'Niobium', MO: 'Molybdenum', TC: 'Technetium', RU: 'Ruthenium', RH: 'Rhodium', PD: 'Palladium', AG: 'Silver', CD: 'Cadmium', IN: 'Indium', SN: 'Tin', SB: 'Antimony', TE: 'Tellurium', I: 'Iodine', XE: 'Xenon', CS: 'Cesium', BA: 'Barium', LA: 'Lanthanum', CE: 'Cerium', PR: 'Praseodymium', ND: 'Neodymium', PM: 'Promethium', SM: 'Samarium', EU: 'Europium', GD: 'Gadolinium', TB: 'Terbium', DY: 'Dysprosium', HO: 'Holmium', ER: 'Erbium', TM: 'Thulium', YB: 'Ytterbium', LU: 'Lutetium', HF: 'Hafnium', TA: 'Tantalum', W: 'Wolfram', RE: 'Rhenium', OS: 'Osmium', IR: 'Iridium', PT: 'Platinum', AU: 'Gold', HG: 'Mercury', TL: 'Thallium', PB: 'Lead', BI: 'Bismuth', PO: 'Polonium', AT: 'Astatine', RN: 'Radon', FR: 'Francium', RA: 'Radium', AC: 'Actinium', TH: 'Thorium', PA: 'Protactinium', U: 'Uranium', NP: 'Neptunium', PU: 'Plutonium', AM: 'Americium', CM: 'Curium', BK: 'Berkelium', CF: 'Californium', ES: 'Einsteinium', FM: 'Fermium', MD: 'Mendelevium', NO: 'Nobelium', LR: 'Lawrencium', RF: 'Rutherfordium', DB: 'Dubnium', SG: 'Seaborgium', BH: 'Bohrium', HS: 'Hassium', MT: 'Meitnerium', DS: 'Darmstadtium', RG: 'Roentgenium', CN: 'Copernicium', NH: 'Nihonium', FL: 'Flerovium', MC: 'Moscovium', LV: 'Livermorium', TS: 'Tennessine', OG: 'Oganesson'
 };
 exports.AlkaliMetals = new Set(['LI', 'NA', 'K', 'RB', 'CS', 'FR']);
 function isAlkaliMetal(element) { return exports.AlkaliMetals.has(element); }
-exports.isAlkaliMetal = isAlkaliMetal;
 exports.AlkalineEarthMetals = new Set(['BE', 'MG', 'CA', 'SR', 'BA', 'RA']);
 function isAlkalineEarthMetal(element) { return exports.AlkalineEarthMetals.has(element); }
-exports.isAlkalineEarthMetal = isAlkalineEarthMetal;
 exports.PolyatomicNonmetals = new Set(['C', 'P', 'S', 'SE']);
 function isPolyatomicNonmetal(element) { return exports.PolyatomicNonmetals.has(element); }
-exports.isPolyatomicNonmetal = isPolyatomicNonmetal;
 exports.DiatomicNonmetals = new Set(['H', 'N', 'O', 'F', 'CL', 'BR', 'I']);
 function isDiatomicNonmetal(element) { return exports.DiatomicNonmetals.has(element); }
-exports.isDiatomicNonmetal = isDiatomicNonmetal;
 exports.NobleGases = new Set(['HE', 'NE', 'AR', 'KR', 'XE', 'RN']);
 function isNobleGas(element) { return exports.NobleGases.has(element); }
-exports.isNobleGas = isNobleGas;
 exports.PostTransitionMetals = new Set(['ZN', 'GA', 'CD', 'IN', 'SN', 'HG', 'TI', 'PB', 'BI', 'PO', 'CN']);
 function isPostTransitionMetal(element) { return exports.PostTransitionMetals.has(element); }
-exports.isPostTransitionMetal = isPostTransitionMetal;
 exports.Metalloids = new Set(['B', 'SI', 'GE', 'AS', 'SB', 'TE', 'AT']);
 function isMetalloid(element) { return exports.Metalloids.has(element); }
-exports.isMetalloid = isMetalloid;
 exports.Halogens = new Set(['F', 'CL', 'BR', 'I', 'AT']);
 function isHalogen(element) { return exports.Halogens.has(element); }
-exports.isHalogen = isHalogen;
 function isTransitionMetal(element) {
     const no = (0, measures_1.AtomNumber)(element);
     return ((no >= 21 && no <= 29) ||
@@ -41,17 +46,14 @@ function isTransitionMetal(element) {
         (no >= 72 && no <= 79) ||
         (no >= 104 && no <= 108));
 }
-exports.isTransitionMetal = isTransitionMetal;
 function isLanthanide(element) {
     const no = (0, measures_1.AtomNumber)(element);
     return no >= 57 && no <= 71;
 }
-exports.isLanthanide = isLanthanide;
 function isActinide(element) {
     const no = (0, measures_1.AtomNumber)(element);
     return no >= 89 && no <= 103;
 }
-exports.isActinide = isActinide;
 function isMetal(element) {
     return (isAlkaliMetal(element) ||
         isAlkalineEarthMetal(element) ||
@@ -60,10 +62,8 @@ function isMetal(element) {
         isTransitionMetal(element) ||
         isPostTransitionMetal(element));
 }
-exports.isMetal = isMetal;
 function isNonmetal(element) {
     return (isDiatomicNonmetal(element) ||
         isPolyatomicNonmetal(element) ||
         isNobleGas(element));
 }
-exports.isNonmetal = isNonmetal;

package/lib/commonjs/mol-model/structure/model/properties/secondary-structure.js

@@ -6,8 +6,7 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.SecondaryStructure = void 0;
+exports.SecondaryStructure = SecondaryStructure;
 function SecondaryStructure(type, key, elements, getIndex) {
     return { type, key, elements, getIndex };
 }
-exports.SecondaryStructure = SecondaryStructure;

package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-derived.js

@@ -5,7 +5,7 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.getAtomicDerivedData = void 0;
+exports.getAtomicDerivedData = getAtomicDerivedData;
 const atomic_1 = require("../atomic");
 const types_1 = require("../../types");
 const util_1 = require("../../../../../mol-model/structure/util");
@@ -80,4 +80,3 @@ function getAtomicDerivedData(data, segments, index, chemicalComponentMap) {
         }
     };
 }
-exports.getAtomicDerivedData = getAtomicDerivedData;

package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-index.js

@@ -6,7 +6,7 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.getAtomicIndex = void 0;
+exports.getAtomicIndex = getAtomicIndex;
 const int_1 = require("../../../../../mol-data/int");
 const hierarchy_1 = require("../atomic/hierarchy");
 const util_1 = require("../../../../../mol-data/util");
@@ -232,4 +232,3 @@ function getAtomicIndex(data, entities, segments) {
     }
     return new Index(map);
 }
-exports.getAtomicIndex = getAtomicIndex;

package/lib/commonjs/mol-model/structure/model/properties/utils/atomic-ranges.js

@@ -5,7 +5,7 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.getAtomicRanges = void 0;
+exports.getAtomicRanges = getAtomicRanges;
 const int_1 = require("../../../../../mol-data/int");
 const sorted_ranges_1 = require("../../../../../mol-data/int/sorted-ranges");
 const types_1 = require("../../types");
@@ -113,4 +113,3 @@ function getAtomicRanges(hierarchy, entities, conformation, sequence) {
         cyclicPolymerMap
     };
 }
-exports.getAtomicRanges = getAtomicRanges;

package/lib/commonjs/mol-model/structure/model/properties/utils/coarse-keys.js

@@ -6,7 +6,7 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.getCoarseKeys = void 0;
+exports.getCoarseKeys = getCoarseKeys;
 const sorted_ranges_1 = require("../../../../../mol-data/int/sorted-ranges");
 const int_1 = require("../../../../../mol-data/int");
 function getElementKey(map, key, counter) {
@@ -93,4 +93,3 @@ function getCoarseKeys(data, entities) {
     };
     return { chainKey, entityKey, findSequenceKey, findChainKey, getEntityFromChain };
 }
-exports.getCoarseKeys = getCoarseKeys;

package/lib/commonjs/mol-model/structure/model/properties/utils/coarse-ranges.js

@@ -5,7 +5,7 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.getCoarseRanges = void 0;
+exports.getCoarseRanges = getCoarseRanges;
 const int_1 = require("../../../../../mol-data/int");
 const sorted_ranges_1 = require("../../../../../mol-data/int/sorted-ranges");
 // TODO assumes all coarse elements are part of a polymer
@@ -43,4 +43,3 @@ function getCoarseRanges(data, chemicalComponentMap) {
         gapRanges: sorted_ranges_1.SortedRanges.ofSortedRanges(gapRanges)
     };
 }
-exports.getCoarseRanges = getCoarseRanges;

package/lib/commonjs/mol-model/structure/model/types/saccharides.js

@@ -8,4 +8,4 @@
  */
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.SaccharideNames = void 0;
-exports.SaccharideNames = new Set(['145', '147', '149', '289', '291', '293', '445', '475', '491', '510', '604', '045', '05L', '07E', '07Y', '08U', '09X', '0AT', '0BD', '0H0', '0HX', '0LP', '0MK', '0NZ', '0TS', '0UB', '0V4', '0WK', '0XY', '0YT', '10M', '12E', '14T', '15L', '16F', '16G', '16O', '17T', '18D', '18O', '18T', '1AR', '1BW', '1CF', '1FT', '1GL', '1GN', '1JB', '1LL', '1NA', '1S3', '1S4', '1SD', '1X4', '20S', '20X', '22O', '22S', '23V', '24S', '25E', '26M', '26O', '26Q', '26R', '26V', '26W', '26Y', '27C', '2DG', '2DR', '2F8', '2FG', '2FL', '2FP', '2GL', '2GS', '2H5', '2HA', '2M4', '2M5', '2M8', '2OS', '2SI', '2WP', '2WS', '32O', '34V', '38J', '3BU', '3CM', '3DO', '3DY', '3FM', '3GR', '3HD', '3J3', '3J4', '3LJ', '3LR', '3MF', '3MG', '3MK', '3R3', '3S6', '3SA', '3YW', '40J', '42D', '44S', '46D', '46M', '46Z', '48Z', '49A', '49S', '49T', '49V', '4AM', '4CQ', '4GC', '4GL', '4GP', '4JA', '4N2', '4NN', '4QY', '4R1', '4RS', '4SG', '4U0', '4U1', '4U2', '4UZ', '4V5', '50A', '51N', '56N', '57S', '5DI', '5GF', '5GO', '5II', '5KQ', '5KS', '5KT', '5KV', '5L2', '5L3', '5LS', '5LT', '5MM', '5N6', '5QP', '5RP', '5SA', '5SP', '5TH', '5TJ', '5TK', '5TM', '61J', '62I', '64K', '66O', '6BG', '6C2', '6DM', '6GB', '6GP', '6GR', '6K3', '6KH', '6KL', '6KS', '6KU', '6KW', '6LA', '6LS', '6LW', '6MJ', '6MN', '6PG', '6PY', '6PZ', '6S2', '6SA', '6UD', '6Y6', '6YR', '6ZC', '73E', '79J', '7CV', '7D1', '7GP', '7JZ', '7K2', '7K3', '7NU', '7SA', '83Y', '89Y', '8B7', '8B9', '8EX', '8GA', '8GG', '8GP', '8I4', '8LM', '8LR', '8OQ', '8PK', '8S0', '8YV', '95Z', '96O', '98U', '9AM', '9C1', '9CD', '9GP', '9KJ', '9MR', '9OK', '9PG', '9QG', '9QZ', '9RN', '9S7', '9SG', '9SJ', '9SM', '9SP', '9T1', '9T7', '9VP', '9WJ', '9WN', '9WZ', '9YW', 'A0K', 'A1AIO', 'A1Q', 'A2G', 'A5C', 'A6P', 'AAL', 'AAO', 'ABC', 'ABD', 'ABE', 'ABF', 'ABL', 'AC1', 'ACG', 'ACR', 'ACX', 'ADA', 'ADG', 'ADR', 'AF1', 'AFD', 'AFL', 'AFO', 'AFP', 'AFR', 'AGC', 'AGH', 'AGL', 'AGR', 'AH2', 'AH8', 'AHG', 'AHM', 'AHR', 'AIG', 'ALL', 'ALX', 'AMG', 'AMN', 'AMU', 'AMV', 'ANA', 'AOG', 'AOS', 'AQA', 'ARA', 'ARB', 'ARE', 'ARI', 'ARW', 'ASC', 'ASG', 'ASO', 'AXP', 'AXR', 'AY9', 'AZC', 'B0D', 'B16', 'B1H', 'B1N', 'B2G', 'B4G', 'B6D', 'B7G', 'B8D', 'B9D', 'BBK', 'BBV', 'BCD', 'BCW', 'BDF', 'BDG', 'BDP', 'BDR', 'BDZ', 'BEM', 'BFN', 'BFP', 'BG6', 'BG8', 'BGC', 'BGL', 'BGN', 'BGP', 'BGS', 'BHG', 'BM3', 'BM7', 'BMA', 'BMX', 'BND', 'BNG', 'BNX', 'BO1', 'BOG', 'BQY', 'BRI', 'BS7', 'BTG', 'BTU', 'BW3', 'BWG', 'BXF', 'BXP', 'BXX', 'BXY', 'BZD', 'C3B', 'C3G', 'C3X', 'C4B', 'C4W', 'C4X', 'C5X', 'CAP', 'CBF', 'CBI', 'CBK', 'CDR', 'CE5', 'CE6', 'CE8', 'CEG', 'CEX', 'CEY', 'CEZ', 'CGF', 'CJB', 'CKB', 'CKP', 'CNP', 'CR1', 'CR6', 'CRA', 'CT3', 'CTO', 'CTR', 'CTT', 'D0N', 'D1M', 'D5E', 'D6G', 'DAF', 'DAG', 'DAN', 'DDA', 'DDB', 'DDL', 'DEG', 'DEL', 'DFR', 'DFX', 'DG0', 'DGC', 'DGD', 'DGM', 'DGO', 'DGS', 'DGU', 'DIG', 'DJB', 'DJE', 'DK4', 'DKX', 'DKZ', 'DL6', 'DLD', 'DLF', 'DLG', 'DMU', 'DNO', 'DO8', 'DOM', 'DP5', 'DPC', 'DQQ', 'DQR', 'DR2', 'DR3', 'DR4', 'DR5', 'DRI', 'DSR', 'DT6', 'DVC', 'DYM', 'E3M', 'E4P', 'E5G', 'EAG', 'EBG', 'EBQ', 'EEN', 'EEQ', 'EGA', 'EJT', 'EMP', 'EMZ', 'EPG', 'EQP', 'EQV', 'ERE', 'ERI', 'ETT', 'EUS', 'F1P', 'F1X', 'F55', 'F58', 'F6P', 'F8X', 'FBP', 'FCA', 'FCB', 'FCT', 'FDP', 'FDQ', 'FFC', 'FFX', 'FIF', 'FIX', 'FK9', 'FKD', 'FMF', 'FMO', 'FNG', 'FNY', 'FRU', 'FSA', 'FSI', 'FSM', 'FSR', 'FSW', 'FU4', 'FUB', 'FUC', 'FUD', 'FUF', 'FUL', 'FUY', 'FVQ', 'FX1', 'FYJ', 'G0S', 'G16', 'G1P', 'G20', 'G28', 'G2F', 'G3F', 'G3I', 'G4D', 'G4S', 'G6D', 'G6P', 'G6S', 'G7P', 'G8Z', 'GAA', 'GAC', 'GAD', 'GAF', 'GAL', 'GAT', 'GBH', 'GC1', 'GC4', 'GC9', 'GCB', 'GCD', 'GCN', 'GCO', 'GCS', 'GCT', 'GCU', 'GCV', 'GCW', 'GDA', 'GDL', 'GE1', 'GE3', 'GFP', 'GIV', 'GL0', 'GL1', 'GL2', 'GL4', 'GL5', 'GL6', 'GL7', 'GL9', 'GLA', 'GLB', 'GLC', 'GLD', 'GLF', 'GLG', 'GLO', 'GLP', 'GLS', 'GLT', 'GLW', 'GM0', 'GMB', 'GMH', 'GMT', 'GMZ', 'GN1', 'GN4', 'GNS', 'GNX', 'GP0', 'GP1', 'GP4', 'GPH', 'GPK', 'GPM', 'GPO', 'GPQ', 'GPU', 'GPV', 'GPW', 'GQ1', 'GRF', 'GRX', 'GS1', 'GS4', 'GS9', 'GSA', 'GSD', 'GTE', 'GTH', 'GTK', 'GTM', 'GTR', 'GU0', 'GU1', 'GU2', 'GU3', 'GU4', 'GU5', 'GU6', 'GU8', 'GU9', 'GUF', 'GUL', 'GUP', 'GUZ', 'GXL', 'GXV', 'GYE', 'GYG', 'GYP', 'GYU', 'GYV', 'GZL', 'H1M', 'H1S', 'H2P', 'H3S', 'H53', 'H6Q', 'H6Z', 'HBZ', 'HD4', 'HDL', 'HMS', 'HNV', 'HNW', 'HSG', 'HSH', 'HSJ', 'HSQ', 'HSR', 'HSU', 'HSX', 'HSY', 'HSZ', 'HTG', 'HTM', 'HVC', 'I57', 'IAB', 'IDC', 'IDF', 'IDG', 'IDR', 'IDS', 'IDT', 'IDU', 'IDX', 'IDY', 'IEM', 'IN1', 'IPT', 'ISD', 'ISL', 'ISX', 'IVG', 'IXD', 'J5B', 'JFZ', 'JHM', 'JLT', 'JRV', 'JS2', 'JSV', 'JV4', 'JVA', 'JVS', 'JZR', 'K5B', 'K99', 'KBA', 'KBG', 'KD5', 'KDA', 'KDB', 'KDD', 'KDE', 'KDF', 'KDM', 'KDN', 'KDO', 'KDR', 'KFN', 'KG1', 'KGM', 'KHP', 'KME', 'KO1', 'KO2', 'KOT', 'KQC', 'KTU', 'L1L', 'L6N', 'L6S', 'L6T', 'LAG', 'LAH', 'LAI', 'LAK', 'LAO', 'LAT', 'LB2', 'LBS', 'LBT', 'LCN', 'LDY', 'LEC', 'LER', 'LFC', 'LFR', 'LGC', 'LGU', 'LKA', 'LKS', 'LM2', 'LMO', 'LMT', 'LMU', 'LNV', 'LOG', 'LOX', 'LPK', 'LRH', 'LSM', 'LTG', 'LTM', 'LVO', 'LVZ', 'LXB', 'LXC', 'LXZ', 'LZ0', 'M1F', 'M1P', 'M2F', 'M3M', 'M3N', 'M55', 'M6D', 'M6P', 'M7B', 'M7P', 'M8C', 'MA1', 'MA2', 'MA3', 'MA8', 'MAB', 'MAF', 'MAG', 'MAL', 'MAN', 'MAT', 'MAV', 'MAW', 'MBE', 'MBF', 'MBG', 'MCU', 'MDA', 'MDP', 'MFA', 'MFB', 'MFU', 'MG5', 'MGA', 'MGC', 'MGL', 'MGS', 'MJJ', 'MLB', 'MLR', 'MMA', 'MMN', 'MN0', 'MNA', 'MQG', 'MQT', 'MRH', 'MRP', 'MSX', 'MTT', 'MUB', 'MUG', 'MUR', 'MVP', 'MXY', 'MXZ', 'MYG', 'N1L', 'N3U', 'N9S', 'NA1', 'NAA', 'NAG', 'NBG', 'NBX', 'NBY', 'NDG', 'NED', 'NFG', 'NG1', 'NG6', 'NGA', 'NGB', 'NGC', 'NGE', 'NGF', 'NGK', 'NGL', 'NGR', 'NGS', 'NGY', 'NGZ', 'NHF', 'NLC', 'NM6', 'NM9', 'NNG', 'NPF', 'NSQ', 'NT1', 'NTF', 'NTO', 'NTP', 'NXD', 'NYT', 'O1G', 'OAK', 'OEL', 'OI7', 'OPM', 'ORP', 'OSU', 'OTG', 'OTN', 'OTU', 'OX2', 'P53', 'P6P', 'P8E', 'PA1', 'PA5', 'PAV', 'PDX', 'PH5', 'PKM', 'PNA', 'PNG', 'PNJ', 'PNW', 'PPC', 'PRP', 'PSG', 'PSJ', 'PSV', 'PTQ', 'PUF', 'PZU', 'QDK', 'QIF', 'QKH', 'QPS', 'QV4', 'R1P', 'R1X', 'R2B', 'R2G', 'R5P', 'RAA', 'RAE', 'RAF', 'RAM', 'RAO', 'RAT', 'RB5', 'RBL', 'RCD', 'RDP', 'REL', 'RER', 'RF5', 'RG1', 'RGG', 'RHA', 'RHC', 'RI2', 'RIB', 'RIP', 'RM4', 'RNS', 'RNT', 'ROB', 'ROR', 'RP3', 'RP5', 'RP6', 'RPA', 'RR7', 'RRJ', 'RRY', 'RST', 'RTG', 'RTV', 'RUB', 'RUG', 'RUU', 'RV7', 'RVG', 'RVM', 'RWI', 'RY7', 'RZM', 'S6P', 'S7P', 'S81', 'SA0', 'SCG', 'SCR', 'SDD', 'SDY', 'SEJ', 'SF6', 'SF9', 'SFJ', 'SFU', 'SG4', 'SG5', 'SG6', 'SG7', 'SGA', 'SGC', 'SGD', 'SGN', 'SGS', 'SHB', 'SHD', 'SHG', 'SI3', 'SIA', 'SID', 'SIO', 'SIZ', 'SLB', 'SLM', 'SLT', 'SMD', 'SN5', 'SNG', 'SOE', 'SOG', 'SOL', 'SOR', 'SR1', 'SSG', 'SSH', 'STW', 'STZ', 'SUC', 'SUP', 'SUS', 'SWE', 'SZZ', 'T68', 'T6D', 'T6P', 'T6T', 'TA6', 'TAG', 'TCB', 'TCG', 'TDG', 'TEU', 'TF0', 'TFU', 'TGA', 'TGK', 'TGR', 'TGY', 'TH1', 'TM5', 'TM6', 'TM9', 'TMR', 'TMX', 'TNX', 'TOA', 'TOC', 'TQY', 'TRE', 'TRV', 'TS8', 'TT7', 'TTV', 'TTZ', 'TU4', 'TUG', 'TUJ', 'TUP', 'TUR', 'TVD', 'TVG', 'TVM', 'TVS', 'TVV', 'TVY', 'TW7', 'TWA', 'TWD', 'TWG', 'TWJ', 'TWY', 'TXB', 'TY6', 'TYV', 'U1Y', 'U2A', 'U2D', 'U63', 'U8V', 'U97', 'U9A', 'U9D', 'U9G', 'U9J', 'U9M', 'UAP', 'UBH', 'UBO', 'UCD', 'UDC', 'UEA', 'V3M', 'V3P', 'V71', 'VDF', 'VG1', 'VJ1', 'VJ4', 'VKN', 'VTB', 'W9T', 'WIA', 'WOO', 'WUN', 'WZ1', 'WZ2', 'WZ4', 'X0X', 'X1P', 'X1X', 'X2F', 'X2Y', 'X34', 'X4S', 'X5S', 'X6X', 'X6Y', 'XBP', 'XDP', 'XDX', 'XGP', 'XIL', 'XKJ', 'XLF', 'XLS', 'XMM', 'XS2', 'XUL', 'XXM', 'XXR', 'XXX', 'XY6', 'XY9', 'XYB', 'XYF', 'XYL', 'XYP', 'XYS', 'XYT', 'XYZ', 'YDR', 'YIO', 'YJM', 'YKR', 'YO5', 'YX0', 'YX1', 'YYB', 'YYD', 'YYH', 'YYJ', 'YYK', 'YYM', 'YYQ', 'YYR', 'YZ0', 'YZT', 'Z0F', 'Z15', 'Z16', 'Z2D', 'Z2T', 'Z3K', 'Z3L', 'Z3Q', 'Z3U', 'Z4K', 'Z4R', 'Z4S', 'Z4U', 'Z4V', 'Z4W', 'Z4Y', 'Z57', 'Z5J', 'Z5L', 'Z61', 'Z6G', 'Z6H', 'Z6J', 'Z6W', 'Z8H', 'Z8T', 'Z9D', 'Z9E', 'Z9H', 'Z9K', 'Z9L', 'Z9M', 'Z9N', 'Z9W', 'ZB0', 'ZB1', 'ZB2', 'ZB3', 'ZCD', 'ZCZ', 'ZD0', 'ZDC', 'ZDM', 'ZDO', 'ZEE', 'ZEL', 'ZGE', 'ZMR', 'UMQ', 'SQD']);
+exports.SaccharideNames = new Set(['145', '147', '149', '289', '291', '293', '445', '475', '491', '510', '604', '045', '05L', '07E', '07Y', '08U', '09X', '0AT', '0BD', '0H0', '0HX', '0LP', '0MK', '0NZ', '0TS', '0UB', '0V4', '0WK', '0XY', '0YT', '10M', '12E', '14T', '15L', '16F', '16G', '16O', '17T', '18D', '18O', '18T', '1AR', '1BW', '1CF', '1FT', '1GL', '1GN', '1JB', '1LL', '1NA', '1S3', '1S4', '1SD', '1X4', '20S', '20X', '22O', '22S', '23V', '24S', '25E', '26M', '26O', '26Q', '26R', '26V', '26W', '26Y', '27C', '2DG', '2DR', '2F8', '2FG', '2FL', '2FP', '2GL', '2GS', '2H5', '2HA', '2M4', '2M5', '2M8', '2OS', '2SI', '2WP', '2WS', '32O', '34V', '38J', '3BU', '3CM', '3DO', '3DY', '3FM', '3GR', '3HD', '3J3', '3J4', '3LJ', '3LR', '3MF', '3MG', '3MK', '3R3', '3S6', '3SA', '3YW', '40J', '42D', '44S', '46D', '46M', '46Z', '48Z', '49A', '49S', '49T', '49V', '4AM', '4CQ', '4GC', '4GL', '4GP', '4JA', '4N2', '4NN', '4QY', '4R1', '4RS', '4SG', '4U0', '4U1', '4U2', '4UZ', '4V5', '50A', '51N', '56N', '57S', '5DI', '5GF', '5GO', '5II', '5KQ', '5KS', '5KT', '5KV', '5L2', '5L3', '5LS', '5LT', '5MM', '5N6', '5QP', '5RP', '5SA', '5SP', '5TH', '5TJ', '5TK', '5TM', '61J', '62I', '64K', '66O', '6BG', '6C2', '6DM', '6GB', '6GP', '6GR', '6K3', '6KH', '6KL', '6KS', '6KU', '6KW', '6LA', '6LS', '6LW', '6MJ', '6MN', '6PG', '6PY', '6PZ', '6S2', '6SA', '6UD', '6Y6', '6YR', '6ZC', '73E', '79J', '7CV', '7D1', '7GP', '7JZ', '7K2', '7K3', '7NU', '7SA', '83Y', '89Y', '8B7', '8B9', '8EX', '8GA', '8GG', '8GP', '8I4', '8LM', '8LR', '8OQ', '8PK', '8S0', '8YV', '95Z', '96O', '98U', '9AM', '9C1', '9CD', '9GP', '9KJ', '9MR', '9OK', '9PG', '9QG', '9QZ', '9RN', '9S7', '9SG', '9SJ', '9SM', '9SP', '9T1', '9T7', '9VP', '9WJ', '9WN', '9WZ', '9YW', 'A0K', 'A1AIO', 'A1H0Z', 'A1Q', 'A2G', 'A5C', 'A6P', 'AAL', 'AAO', 'ABC', 'ABD', 'ABE', 'ABF', 'ABL', 'AC1', 'ACG', 'ACR', 'ACX', 'ADA', 'ADG', 'ADR', 'AF1', 'AFD', 'AFL', 'AFO', 'AFP', 'AFR', 'AGC', 'AGH', 'AGL', 'AGR', 'AH2', 'AH8', 'AHG', 'AHM', 'AHR', 'AIG', 'ALL', 'ALX', 'AMG', 'AMN', 'AMU', 'AMV', 'ANA', 'AOG', 'AOS', 'AQA', 'ARA', 'ARB', 'ARE', 'ARI', 'ARW', 'ASC', 'ASG', 'ASO', 'AXP', 'AXR', 'AY9', 'AZC', 'B0D', 'B16', 'B1H', 'B1N', 'B2G', 'B4G', 'B6D', 'B7G', 'B8D', 'B9D', 'BBK', 'BBV', 'BCD', 'BCW', 'BDF', 'BDG', 'BDP', 'BDR', 'BDZ', 'BEM', 'BFN', 'BFP', 'BG6', 'BG8', 'BGC', 'BGL', 'BGN', 'BGP', 'BGS', 'BHG', 'BM3', 'BM7', 'BMA', 'BMX', 'BND', 'BNG', 'BNX', 'BO1', 'BOG', 'BQY', 'BRI', 'BS7', 'BTG', 'BTU', 'BW3', 'BWG', 'BXF', 'BXP', 'BXX', 'BXY', 'BZD', 'C3B', 'C3G', 'C3X', 'C4B', 'C4W', 'C4X', 'C5X', 'CAP', 'CBF', 'CBI', 'CBK', 'CDR', 'CE5', 'CE6', 'CE8', 'CEG', 'CEX', 'CEY', 'CEZ', 'CGF', 'CJB', 'CKB', 'CKP', 'CNP', 'CR1', 'CR6', 'CRA', 'CT3', 'CTO', 'CTR', 'CTT', 'D0N', 'D1M', 'D5E', 'D6G', 'DAF', 'DAG', 'DAN', 'DDA', 'DDB', 'DDL', 'DEG', 'DEL', 'DFR', 'DFX', 'DG0', 'DGC', 'DGD', 'DGM', 'DGO', 'DGS', 'DGU', 'DIG', 'DJB', 'DJE', 'DK4', 'DKX', 'DKZ', 'DL6', 'DLD', 'DLF', 'DLG', 'DMU', 'DNO', 'DO8', 'DOM', 'DP5', 'DPC', 'DQQ', 'DQR', 'DR2', 'DR3', 'DR4', 'DR5', 'DRI', 'DSR', 'DT6', 'DVC', 'DYM', 'E3M', 'E4P', 'E5G', 'EAG', 'EBG', 'EBQ', 'EEN', 'EEQ', 'EGA', 'EJT', 'EMP', 'EMZ', 'EPG', 'EQP', 'EQV', 'ERE', 'ERI', 'ETT', 'EUS', 'F1P', 'F1X', 'F55', 'F58', 'F6P', 'F8X', 'FBP', 'FCA', 'FCB', 'FCT', 'FDP', 'FDQ', 'FFC', 'FFX', 'FIF', 'FIX', 'FK9', 'FKD', 'FMF', 'FMO', 'FNG', 'FNY', 'FRU', 'FSA', 'FSI', 'FSM', 'FSR', 'FSW', 'FU4', 'FUB', 'FUC', 'FUD', 'FUF', 'FUL', 'FUY', 'FVQ', 'FX1', 'FYJ', 'G0S', 'G16', 'G1P', 'G20', 'G28', 'G2F', 'G3F', 'G3I', 'G4D', 'G4S', 'G6D', 'G6P', 'G6S', 'G7P', 'G8Z', 'GAA', 'GAC', 'GAD', 'GAF', 'GAL', 'GAT', 'GBH', 'GC1', 'GC4', 'GC9', 'GCB', 'GCD', 'GCN', 'GCO', 'GCS', 'GCT', 'GCU', 'GCV', 'GCW', 'GDA', 'GDL', 'GE1', 'GE3', 'GFP', 'GIV', 'GL0', 'GL1', 'GL2', 'GL4', 'GL5', 'GL6', 'GL7', 'GL9', 'GLA', 'GLB', 'GLC', 'GLD', 'GLF', 'GLG', 'GLO', 'GLP', 'GLS', 'GLT', 'GLW', 'GM0', 'GMB', 'GMH', 'GMT', 'GMZ', 'GN1', 'GN4', 'GNS', 'GNX', 'GP0', 'GP1', 'GP4', 'GPH', 'GPK', 'GPM', 'GPO', 'GPQ', 'GPU', 'GPV', 'GPW', 'GQ1', 'GRF', 'GRX', 'GS1', 'GS4', 'GS9', 'GSA', 'GSD', 'GTE', 'GTH', 'GTK', 'GTM', 'GTR', 'GU0', 'GU1', 'GU2', 'GU3', 'GU4', 'GU5', 'GU6', 'GU8', 'GU9', 'GUF', 'GUL', 'GUP', 'GUZ', 'GXL', 'GXV', 'GYE', 'GYG', 'GYP', 'GYU', 'GYV', 'GZL', 'H1M', 'H1S', 'H2P', 'H3S', 'H53', 'H6Q', 'H6Z', 'HBZ', 'HD4', 'HDL', 'HMS', 'HNV', 'HNW', 'HSG', 'HSH', 'HSJ', 'HSQ', 'HSR', 'HSU', 'HSX', 'HSY', 'HSZ', 'HTG', 'HTM', 'HVC', 'I57', 'IAB', 'IDC', 'IDF', 'IDG', 'IDR', 'IDS', 'IDT', 'IDU', 'IDX', 'IDY', 'IEM', 'IN1', 'IPT', 'ISD', 'ISL', 'ISX', 'IVG', 'IXD', 'J5B', 'JFZ', 'JHM', 'JLT', 'JRV', 'JS2', 'JSV', 'JV4', 'JVA', 'JVS', 'JZR', 'K5B', 'K99', 'KBA', 'KBG', 'KD5', 'KDA', 'KDB', 'KDD', 'KDE', 'KDF', 'KDM', 'KDN', 'KDO', 'KDR', 'KFN', 'KG1', 'KGM', 'KHP', 'KME', 'KO1', 'KO2', 'KOT', 'KQC', 'KTU', 'L1L', 'L6N', 'L6S', 'L6T', 'LAG', 'LAH', 'LAI', 'LAK', 'LAO', 'LAT', 'LB2', 'LBS', 'LBT', 'LCN', 'LDY', 'LEC', 'LER', 'LFC', 'LFR', 'LGC', 'LGU', 'LKA', 'LKS', 'LM2', 'LMO', 'LMT', 'LMU', 'LNV', 'LOG', 'LOX', 'LPK', 'LRH', 'LSM', 'LTG', 'LTM', 'LVO', 'LVZ', 'LXB', 'LXC', 'LXZ', 'LZ0', 'M1F', 'M1P', 'M2F', 'M3M', 'M3N', 'M55', 'M6D', 'M6P', 'M7B', 'M7P', 'M8C', 'MA1', 'MA2', 'MA3', 'MA8', 'MAB', 'MAF', 'MAG', 'MAL', 'MAN', 'MAT', 'MAV', 'MAW', 'MBE', 'MBF', 'MBG', 'MCU', 'MDA', 'MDP', 'MFA', 'MFB', 'MFU', 'MG5', 'MGA', 'MGC', 'MGL', 'MGS', 'MJJ', 'MLB', 'MLR', 'MMA', 'MMN', 'MN0', 'MNA', 'MQG', 'MQT', 'MRH', 'MRP', 'MSX', 'MTT', 'MUB', 'MUG', 'MUR', 'MVP', 'MXY', 'MXZ', 'MYG', 'N1L', 'N3U', 'N9S', 'NA1', 'NAA', 'NAG', 'NBG', 'NBX', 'NBY', 'NDG', 'NED', 'NFG', 'NG1', 'NG6', 'NGA', 'NGB', 'NGC', 'NGE', 'NGF', 'NGK', 'NGL', 'NGR', 'NGS', 'NGY', 'NGZ', 'NHF', 'NLC', 'NM6', 'NM9', 'NNG', 'NPF', 'NSQ', 'NT1', 'NTF', 'NTO', 'NTP', 'NXD', 'NYT', 'O1G', 'OAK', 'OEL', 'OI7', 'OPM', 'ORP', 'OSU', 'OTG', 'OTN', 'OTU', 'OX2', 'P53', 'P6P', 'P8E', 'PA1', 'PA5', 'PAV', 'PDX', 'PH5', 'PKM', 'PNA', 'PNG', 'PNJ', 'PNW', 'PPC', 'PRP', 'PSG', 'PSJ', 'PSV', 'PTQ', 'PUF', 'PZU', 'QDK', 'QIF', 'QKH', 'QPS', 'QV4', 'R1P', 'R1X', 'R2B', 'R2G', 'R5P', 'RAA', 'RAE', 'RAF', 'RAM', 'RAO', 'RAT', 'RB5', 'RBL', 'RCD', 'RDP', 'REL', 'RER', 'RF5', 'RG1', 'RGG', 'RHA', 'RHC', 'RI2', 'RIB', 'RIP', 'RM4', 'RNS', 'RNT', 'ROB', 'ROR', 'RP3', 'RP5', 'RP6', 'RPA', 'RR7', 'RRJ', 'RRY', 'RST', 'RTG', 'RTV', 'RUB', 'RUG', 'RUU', 'RV7', 'RVG', 'RVM', 'RWI', 'RY7', 'RZM', 'S6P', 'S7P', 'S81', 'SA0', 'SCG', 'SCR', 'SDD', 'SDY', 'SEJ', 'SF6', 'SF9', 'SFJ', 'SFU', 'SG4', 'SG5', 'SG6', 'SG7', 'SGA', 'SGC', 'SGD', 'SGN', 'SGS', 'SHB', 'SHD', 'SHG', 'SI3', 'SIA', 'SID', 'SIO', 'SIZ', 'SLB', 'SLM', 'SLT', 'SMD', 'SN5', 'SNG', 'SOE', 'SOG', 'SOL', 'SOR', 'SR1', 'SSG', 'SSH', 'STW', 'STZ', 'SUC', 'SUP', 'SUS', 'SWE', 'SZZ', 'T68', 'T6D', 'T6P', 'T6T', 'TA6', 'TAG', 'TCB', 'TCG', 'TDG', 'TEU', 'TF0', 'TFU', 'TGA', 'TGK', 'TGR', 'TGY', 'TH1', 'TM5', 'TM6', 'TM9', 'TMR', 'TMX', 'TNX', 'TOA', 'TOC', 'TQY', 'TRE', 'TRV', 'TS8', 'TT7', 'TTV', 'TTZ', 'TU4', 'TUG', 'TUJ', 'TUP', 'TUR', 'TVD', 'TVG', 'TVM', 'TVS', 'TVV', 'TVY', 'TW7', 'TWA', 'TWD', 'TWG', 'TWJ', 'TWY', 'TXB', 'TY6', 'TYV', 'U1Y', 'U2A', 'U2D', 'U63', 'U8V', 'U97', 'U9A', 'U9D', 'U9G', 'U9J', 'U9M', 'UAP', 'UBH', 'UBO', 'UCD', 'UDC', 'UEA', 'V3M', 'V3P', 'V71', 'VDF', 'VG1', 'VJ1', 'VJ4', 'VKN', 'VTB', 'W9T', 'WIA', 'WOO', 'WUN', 'WZ1', 'WZ2', 'WZ4', 'X0X', 'X1P', 'X1X', 'X2F', 'X2Y', 'X34', 'X4S', 'X5S', 'X6X', 'X6Y', 'XBP', 'XDP', 'XDX', 'XGP', 'XIL', 'XKJ', 'XLF', 'XLS', 'XMM', 'XS2', 'XUL', 'XXM', 'XXR', 'XXX', 'XY6', 'XY9', 'XYB', 'XYF', 'XYL', 'XYP', 'XYS', 'XYT', 'XYZ', 'YDR', 'YIO', 'YJM', 'YKR', 'YO5', 'YX0', 'YX1', 'YYB', 'YYD', 'YYH', 'YYJ', 'YYK', 'YYM', 'YYQ', 'YYR', 'YZ0', 'YZT', 'Z0F', 'Z15', 'Z16', 'Z2D', 'Z2T', 'Z3K', 'Z3L', 'Z3Q', 'Z3U', 'Z4K', 'Z4R', 'Z4S', 'Z4U', 'Z4V', 'Z4W', 'Z4Y', 'Z57', 'Z5J', 'Z5L', 'Z61', 'Z6G', 'Z6H', 'Z6J', 'Z6W', 'Z8H', 'Z8T', 'Z9D', 'Z9E', 'Z9H', 'Z9K', 'Z9L', 'Z9M', 'Z9N', 'Z9W', 'ZB0', 'ZB1', 'ZB2', 'ZB3', 'ZCD', 'ZCZ', 'ZD0', 'ZDC', 'ZDM', 'ZDO', 'ZEE', 'ZEL', 'ZGE', 'ZMR', 'UMQ', 'SQD']);

package/lib/commonjs/mol-model/structure/model/types.d.ts

@@ -111,9 +111,9 @@ export declare function getComponentType(compId: string): ChemCompType;
 export declare function getDefaultChemicalComponent(compId: string): ChemicalComponent;
 export declare function getEntityType(compId: string): mmCIF_Schema['entity']['type']['T'];
 export declare function getEntitySubtype(compId: string, compType: ChemCompType): EntitySubtype;
-export declare function isPolymer(moleculeType: MoleculeType): boolean;
-export declare function isNucleic(moleculeType: MoleculeType): boolean;
-export declare function isProtein(moleculeType: MoleculeType): boolean;
+export declare function isPolymer(moleculeType: MoleculeType): moleculeType is MoleculeType.Protein | MoleculeType.RNA | MoleculeType.DNA | MoleculeType.PNA;
+export declare function isNucleic(moleculeType: MoleculeType): moleculeType is MoleculeType.RNA | MoleculeType.DNA | MoleculeType.PNA;
+export declare function isProtein(moleculeType: MoleculeType): moleculeType is MoleculeType.Protein;
 export type SecondaryStructureType = BitFlags<SecondaryStructureType.Flag>;
 export declare namespace SecondaryStructureType {
     const is: (ss: SecondaryStructureType, f: Flag) => boolean;

package/lib/commonjs/mol-model/structure/model/types.js

@@ -6,7 +6,18 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.DefaultResidueHydrophobicity = exports.ResidueHydrophobicity = exports.BondType = exports.DefaultMaxAsa = exports.MaxAsa = exports.SecondaryStructureType = exports.isProtein = exports.isNucleic = exports.isPolymer = exports.getEntitySubtype = exports.getEntityType = exports.getDefaultChemicalComponent = exports.getComponentType = exports.getPolymerType = exports.getMoleculeType = exports.PolymerNames = exports.isPyrimidineBase = exports.isPurineBase = exports.BaseNames = exports.PyrimidineBaseNames = exports.PurineBaseNames = exports.PeptideBaseNames = exports.DnaBaseNames = exports.RnaBaseNames = exports.CommonProteinCaps = exports.AminoAcidNames = exports.AminoAcidNamesD = exports.AminoAcidNamesL = exports.WaterNames = exports.LipidComponentTypeNames = exports.IonComponentTypeNames = exports.OtherComponentTypeNames = exports.SaccharideComponentTypeNames = exports.RNAComponentTypeNames = exports.DNAComponentTypeNames = exports.ProteinComponentTypeNames = exports.OtherProteinComponentTypeNames = exports.ProteinTerminusComponentTypeNames = exports.BetaProteinComponentTypeNames = exports.GammaProteinComponentTypeNames = exports.LProteinComponentTypeNames = exports.DProteinComponentTypeNames = exports.NucleicBackboneAtoms = exports.ProteinBackboneAtoms = exports.PolymerTypeAtomRoleId = exports.EntityType = exports.getElementFromAtomicNumber = exports.ElementSymbol = void 0;
+exports.DefaultResidueHydrophobicity = exports.ResidueHydrophobicity = exports.BondType = exports.DefaultMaxAsa = exports.MaxAsa = exports.SecondaryStructureType = exports.PolymerNames = exports.isPyrimidineBase = exports.isPurineBase = exports.BaseNames = exports.PyrimidineBaseNames = exports.PurineBaseNames = exports.PeptideBaseNames = exports.DnaBaseNames = exports.RnaBaseNames = exports.CommonProteinCaps = exports.AminoAcidNames = exports.AminoAcidNamesD = exports.AminoAcidNamesL = exports.WaterNames = exports.LipidComponentTypeNames = exports.IonComponentTypeNames = exports.OtherComponentTypeNames = exports.SaccharideComponentTypeNames = exports.RNAComponentTypeNames = exports.DNAComponentTypeNames = exports.ProteinComponentTypeNames = exports.OtherProteinComponentTypeNames = exports.ProteinTerminusComponentTypeNames = exports.BetaProteinComponentTypeNames = exports.GammaProteinComponentTypeNames = exports.LProteinComponentTypeNames = exports.DProteinComponentTypeNames = exports.NucleicBackboneAtoms = exports.ProteinBackboneAtoms = exports.PolymerTypeAtomRoleId = exports.EntityType = void 0;
+exports.ElementSymbol = ElementSymbol;
+exports.getElementFromAtomicNumber = getElementFromAtomicNumber;
+exports.getMoleculeType = getMoleculeType;
+exports.getPolymerType = getPolymerType;
+exports.getComponentType = getComponentType;
+exports.getDefaultChemicalComponent = getDefaultChemicalComponent;
+exports.getEntityType = getEntityType;
+exports.getEntitySubtype = getEntitySubtype;
+exports.isPolymer = isPolymer;
+exports.isNucleic = isNucleic;
+exports.isProtein = isProtein;
 const bit_flags_1 = require("../../../mol-util/bit-flags");
 const constants_1 = require("../structure/carbohydrates/constants");
 const set_1 = require("../../../mol-util/set");
@@ -35,7 +46,6 @@ const _esCache = (function () {
 function ElementSymbol(s) {
     return _esCache[s] || s.toUpperCase();
 }
-exports.ElementSymbol = ElementSymbol;
 const _elementByAtomicNumber = new Map([[1, 'H'], [2, 'He'], [3, 'Li'], [4, 'Be'], [5, 'B'], [6, 'C'], [7, 'N'], [8, 'O'], [9, 'F'], [10, 'Ne'], [11, 'Na'], [12, 'Mg'], [13, 'Al'], [14, 'Si'], [15, 'P'], [16, 'S'], [17, 'Cl'], [18, 'Ar'], [19, 'K'], [20, 'Ca'], [21, 'Sc'], [22, 'Ti'], [23, 'V'], [24, 'Cr'], [25, 'Mn'], [26, 'Fe'], [27, 'Co'], [28, 'Ni'], [29, 'Cu'], [30, 'Zn'], [31, 'Ga'], [32, 'Ge'], [33, 'As'], [34, 'Se'], [35, 'Br'], [36, 'Kr'], [37, 'Rb'], [38, 'Sr'], [39, 'Y'], [40, 'Zr'], [41, 'Nb'], [42, 'Mo'], [43, 'Tc'], [44, 'Ru'], [45, 'Rh'], [46, 'Pd'], [47, 'Ag'], [48, 'Cd'], [49, 'In'], [50, 'Sn'], [51, 'Sb'], [52, 'Te'], [53, 'I'], [54, 'Xe'], [55, 'Cs'], [56, 'Ba'], [57, 'La'], [58, 'Ce'], [59, 'Pr'], [60, 'Nd'], [61, 'Pm'], [62, 'Sm'], [63, 'Eu'], [64, 'Gd'], [65, 'Tb'], [66, 'Dy'], [67, 'Ho'], [68, 'Er'], [69, 'Tm'], [70, 'Yb'], [71, 'Lu'], [72, 'Hf'], [73, 'Ta'], [74, 'W'], [75, 'Re'], [76, 'Os'], [77, 'Ir'], [78, 'Pt'], [79, 'Au'], [80, 'Hg'], [81, 'Tl'], [82, 'Pb'], [83, 'Bi'], [84, 'Po'], [85, 'At'], [86, 'Rn'], [87, 'Fr'], [88, 'Ra'], [89, 'Ac'], [90, 'Th'], [91, 'Pa'], [92, 'U'], [93, 'Np'], [94, 'Pu'], [95, 'Am'], [96, 'Cm'], [97, 'Bk'], [98, 'Cf'], [99, 'Es'], [100, 'Fm'], [101, 'Md'], [102, 'No'], [103, 'Lr'], [104, 'Rf'], [105, 'Db'], [106, 'Sg'], [107, 'Bh'], [108, 'Hs'], [109, 'Mt'], [110, 'Ds'], [111, 'Rg'], [112, 'Cn'], [113, 'Uut'], [114, 'Fl'], [115, 'Uup'], [116, 'Lv'], [117, 'Uus'], [118, 'Uuo']]
     .map(e => [e[0], ElementSymbol(e[1])]));
 function getElementFromAtomicNumber(n) {
@@ -43,7 +53,6 @@ function getElementFromAtomicNumber(n) {
         return _elementByAtomicNumber.get(n);
     return ElementSymbol('H');
 }
-exports.getElementFromAtomicNumber = getElementFromAtomicNumber;
 /** Entity types as defined in the mmCIF dictionary */
 var EntityType;
 (function (EntityType) {
@@ -300,7 +309,6 @@ function getMoleculeType(compType, compId) {
         return 0 /* MoleculeType.Unknown */;
     }
 }
-exports.getMoleculeType = getMoleculeType;
 function getPolymerType(compType, molType) {
     if (molType === 5 /* MoleculeType.Protein */) {
         if (exports.GammaProteinComponentTypeNames.has(compType)) {
@@ -329,7 +337,6 @@ function getPolymerType(compType, molType) {
         return 0 /* PolymerType.NA */;
     }
 }
-exports.getPolymerType = getPolymerType;
 function getComponentType(compId) {
     compId = compId.toUpperCase();
     if (exports.AminoAcidNames.has(compId)) {
@@ -348,7 +355,6 @@ function getComponentType(compId) {
         return 'other';
     }
 }
-exports.getComponentType = getComponentType;
 function getDefaultChemicalComponent(compId) {
     // TODO: this is to make the chem_comp_type property work if chem_comp category is not present.
     // should we try to set the formula etc better?
@@ -362,7 +368,6 @@ function getDefaultChemicalComponent(compId) {
         type: getComponentType(compId)
     };
 }
-exports.getDefaultChemicalComponent = getDefaultChemicalComponent;
 function getEntityType(compId) {
     compId = compId.toUpperCase();
     if (exports.WaterNames.has(compId)) {
@@ -378,7 +383,6 @@ function getEntityType(compId) {
         return 'non-polymer';
     }
 }
-exports.getEntityType = getEntityType;
 function getEntitySubtype(compId, compType) {
     compId = compId.toUpperCase();
     if (exports.LProteinComponentTypeNames.has(compType)) {
@@ -427,19 +431,15 @@ function getEntitySubtype(compId, compType) {
         return 'other';
     }
 }
-exports.getEntitySubtype = getEntitySubtype;
 function isPolymer(moleculeType) {
     return isNucleic(moleculeType) || isProtein(moleculeType);
 }
-exports.isPolymer = isPolymer;
 function isNucleic(moleculeType) {
     return moleculeType === 7 /* MoleculeType.DNA */ || moleculeType === 6 /* MoleculeType.RNA */ || moleculeType === 8 /* MoleculeType.PNA */;
 }
-exports.isNucleic = isNucleic;
 function isProtein(moleculeType) {
     return moleculeType === 5 /* MoleculeType.Protein */;
 }
-exports.isProtein = isProtein;
 var SecondaryStructureType;
 (function (SecondaryStructureType) {
     SecondaryStructureType.is = bit_flags_1.BitFlags.has;

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

@@ -5,7 +5,8 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.getAsymIdCount = exports.calcModelCenter = void 0;
+exports.calcModelCenter = calcModelCenter;
+exports.getAsymIdCount = getAsymIdCount;
 const linear_algebra_1 = require("../../../mol-math/linear-algebra");
 const array_1 = require("../../../mol-util/array");
 function calcModelCenter(atomicConformation, coarseConformation) {
@@ -37,7 +38,6 @@ function calcModelCenter(atomicConformation, coarseConformation) {
     const z = minZ + (maxZ - minZ) / 2;
     return linear_algebra_1.Vec3.create(x, y, z);
 }
-exports.calcModelCenter = calcModelCenter;
 function getAsymIdCount(model) {
     const auth = new Set();
     const label = new Set();
@@ -47,4 +47,3 @@ function getAsymIdCount(model) {
     });
     return { auth: auth.size, label: label.size };
 }
-exports.getAsymIdCount = getAsymIdCount;

package/lib/commonjs/mol-model/structure/query/queries/atom-set.js

@@ -10,24 +10,23 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.propertySet = exports.countQuery = exports.atomCount = void 0;
+exports.atomCount = atomCount;
+exports.countQuery = countQuery;
+exports.propertySet = propertySet;
 const selection_1 = require("../selection");
 const filters_1 = require("./filters");
 function atomCount(ctx) {
     return ctx.currentStructure.elementCount;
 }
-exports.atomCount = atomCount;
 function countQuery(query) {
     return (ctx) => {
         const sel = query(ctx);
         return selection_1.StructureSelection.structureCount(sel);
     };
 }
-exports.countQuery = countQuery;
 function propertySet(prop) {
     return (ctx) => {
         const set = new Set();
         return (0, filters_1.getCurrentStructureProperties)(ctx, prop, set);
     };
 }
-exports.propertySet = propertySet;

package/lib/commonjs/mol-model/structure/query/queries/combinators.js

@@ -5,7 +5,8 @@
  * @author David Sehnal <david.sehnal@gmail.com>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.intersect = exports.merge = void 0;
+exports.merge = merge;
+exports.intersect = intersect;
 const selection_1 = require("../selection");
 const generators_1 = require("./generators");
 const generic_1 = require("../../../../mol-data/generic");
@@ -29,7 +30,6 @@ function merge(queries) {
         return ret.getSelection();
     };
 }
-exports.merge = merge;
 function intersect(queries) {
     if (queries.length === 0) {
         return generators_1.none;
@@ -65,5 +65,4 @@ function intersect(queries) {
         return ret.getSelection();
     };
 }
-exports.intersect = intersect;
 // TODO: distanceCluster

package/lib/commonjs/mol-model/structure/query/queries/filters.js

@@ -6,7 +6,13 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.isConnectedTo = exports.within = exports.areIntersectedBy = exports.withSameAtomProperties = exports.getCurrentStructureProperties = exports.first = exports.pick = void 0;
+exports.pick = pick;
+exports.first = first;
+exports.getCurrentStructureProperties = getCurrentStructureProperties;
+exports.withSameAtomProperties = withSameAtomProperties;
+exports.areIntersectedBy = areIntersectedBy;
+exports.within = within;
+exports.isConnectedTo = isConnectedTo;
 const set_1 = require("../../../../mol-util/set");
 const structure_1 = require("../../structure");
 const selection_1 = require("../selection");
@@ -31,7 +37,6 @@ function pick(query, pred) {
         return ret.getSelection();
     };
 }
-exports.pick = pick;
 function first(query) {
     return ctx => {
         const sel = query(ctx);
@@ -51,7 +56,6 @@ function first(query) {
         return ret.getSelection();
     };
 }
-exports.first = first;
 function getCurrentStructureProperties(ctx, props, set) {
     const { units } = ctx.currentStructure;
     const l = ctx.pushCurrentElement();
@@ -73,7 +77,6 @@ function getCurrentStructureProperties(ctx, props, set) {
     ctx.popCurrentElement();
     return set;
 }
-exports.getCurrentStructureProperties = getCurrentStructureProperties;
 function getSelectionProperties(ctx, query, props) {
     const set = new Set();
     const sel = query(ctx);
@@ -106,7 +109,6 @@ function withSameAtomProperties(query, propertySource, props) {
         return ret.getSelection();
     };
 }
-exports.withSameAtomProperties = withSameAtomProperties;
 function areIntersectedBy(query, by) {
     return ctx => {
         const mask = selection_1.StructureSelection.unionStructure(by(ctx));
@@ -120,7 +122,6 @@ function areIntersectedBy(query, by) {
         return ret.getSelection();
     };
 }
-exports.areIntersectedBy = areIntersectedBy;
 function within(params) {
     return queryCtx => {
         const ctx = {
@@ -143,7 +144,6 @@ function within(params) {
         }
     };
 }
-exports.within = within;
 function withinMaxRadiusLookup({ queryCtx, selection, target, maxRadius, invert }) {
     const targetLookup = selection_1.StructureSelection.unionStructure(target).lookup3d;
     const ret = selection_1.StructureSelection.LinearBuilder(queryCtx.inputStructure);
@@ -300,4 +300,3 @@ function isConnectedTo({ query, target, disjunct, invert, bondTest }) {
         return ret.getSelection();
     };
 }
-exports.isConnectedTo = isConnectedTo;

package/lib/commonjs/mol-model/structure/query/queries/generators.js

@@ -6,7 +6,13 @@
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.bondedAtomicPairs = exports.querySelection = exports.rings = exports.atoms = exports.chains = exports.residues = exports.all = exports.none = void 0;
+exports.all = exports.none = void 0;
+exports.residues = residues;
+exports.chains = chains;
+exports.atoms = atoms;
+exports.rings = rings;
+exports.querySelection = querySelection;
+exports.bondedAtomicPairs = bondedAtomicPairs;
 const generic_1 = require("../../../../mol-data/generic");
 const int_1 = require("../../../../mol-data/int");
 const structure_1 = require("../../structure");
@@ -19,9 +25,7 @@ exports.none = none;
 const all = ctx => selection_1.StructureSelection.Singletons(ctx.inputStructure, ctx.inputStructure);
 exports.all = all;
 function residues(params) { return atoms({ ...params, groupBy: ctx => structure_1.StructureProperties.residue.key(ctx.element) }); }
-exports.residues = residues;
 function chains(params) { return atoms({ ...params, groupBy: ctx => structure_1.StructureProperties.chain.key(ctx.element) }); }
-exports.chains = chains;
 function _true(ctx) { return true; }
 function _zero(ctx) { return 0; }
 function atoms(params) {
@@ -41,7 +45,6 @@ function atoms(params) {
         return atomGroupsSegmented(normalized);
     return atomGroupsGrouped(normalized);
 }
-exports.atoms = atoms;
 function atomGroupsLinear(atomTest) {
     return function query_atomGroupsLinear(ctx) {
         const { inputStructure } = ctx;
@@ -115,7 +118,7 @@ function atomGroupsSegmented({ unitTest, entityTest, chainTest, residueTest, ato
                 }
             }
             else {
-                const { chainElementSegments } = 1 /* Unit.Kind.Spheres */ ? model.coarseHierarchy.spheres : model.coarseHierarchy.gaussians;
+                const { chainElementSegments } = unit.kind === 1 /* Unit.Kind.Spheres */ ? model.coarseHierarchy.spheres : model.coarseHierarchy.gaussians;
                 const chainsIt = int_1.Segmentation.transientSegments(chainElementSegments, elements);
                 while (chainsIt.hasNext) {
                     const chainSegment = chainsIt.move();
@@ -182,7 +185,7 @@ function atomGroupsGrouped({ unitTest, entityTest, chainTest, residueTest, atomT
                 }
             }
             else {
-                const { chainElementSegments } = 1 /* Unit.Kind.Spheres */ ? model.coarseHierarchy.spheres : model.coarseHierarchy.gaussians;
+                const { chainElementSegments } = unit.kind === 1 /* Unit.Kind.Spheres */ ? model.coarseHierarchy.spheres : model.coarseHierarchy.gaussians;
                 const chainsIt = int_1.Segmentation.transientSegments(chainElementSegments, elements);
                 while (chainsIt.hasNext) {
                     const chainSegment = chainsIt.move();
@@ -253,7 +256,6 @@ function rings(fingerprints, onlyAromatic) {
         return ret.getSelection();
     };
 }
-exports.rings = rings;
 function querySelection(selection, query, inComplement = false) {
     return function query_querySelection(ctx) {
         const targetSel = selection(ctx);
@@ -271,7 +273,6 @@ function querySelection(selection, query, inComplement = false) {
         return selection_1.StructureSelection.withInputStructure(result, ctx.inputStructure);
     };
 }
-exports.querySelection = querySelection;
 function bondedAtomicPairs(bondTest) {
     return function query_bondedAtomicPairs(ctx) {
         const structure = ctx.inputStructure;
@@ -334,4 +335,3 @@ function bondedAtomicPairs(bondTest) {
         return ret.getSelection();
     };
 }
-exports.bondedAtomicPairs = bondedAtomicPairs;