molstar 3.3.1 → 3.6.0

package/lib/commonjs/cli/cif2bcif/converter.js

@@ -10,9 +10,9 @@ exports.convert = void 0;
 var tslib_1 = require("tslib");
 var cif_1 = require("../../mol-io/reader/cif");
 var cif_2 = require("../../mol-io/writer/cif");
-var util = (0, tslib_1.__importStar)(require("util"));
-var fs = (0, tslib_1.__importStar)(require("fs"));
-var zlib = (0, tslib_1.__importStar)(require("zlib"));
+var util = tslib_1.__importStar(require("util"));
+var fs = tslib_1.__importStar(require("fs"));
+var zlib = tslib_1.__importStar(require("zlib"));
 var mol_task_1 = require("../../mol-task");
 var binary_cif_1 = require("../../mol-io/common/binary-cif");
 var encoder_1 = require("../../mol-io/writer/cif/encoder");
@@ -23,9 +23,9 @@ function showProgress(p) {
 var readFileAsync = util.promisify(fs.readFile);
 var unzipAsync = util.promisify(zlib.unzip);
 function readFile(ctx, filename) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var isGz, input, str, data, _a;
-        return (0, tslib_1.__generator)(this, function (_b) {
+        return tslib_1.__generator(this, function (_b) {
             switch (_b.label) {
                 case 0:
                     isGz = /\.gz$/i.test(filename);
@@ -61,9 +61,9 @@ function readFile(ctx, filename) {
     });
 }
 function getCIF(ctx, filename) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var parsed;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, readFile(ctx, filename)];
                 case 1:
@@ -99,9 +99,9 @@ function classify(name, field) {
 function convert(path, asText, hints, filter) {
     var _this = this;
     if (asText === void 0) { asText = false; }
-    return mol_task_1.Task.create('BinaryCIF', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
+    return mol_task_1.Task.create('Convert CIF', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
         var encodingProvider, cif, encoder, maxProgress, _i, _a, b, _b, _c, c, current, _d, _e, b, _f, _g, c, cat, fields, _h, _j, f, ret;
-        return (0, tslib_1.__generator)(this, function (_k) {
+        return tslib_1.__generator(this, function (_k) {
             switch (_k.label) {
                 case 0:
                     encodingProvider = hints

package/lib/commonjs/cli/cif2bcif/index.js

@@ -8,21 +8,21 @@
  */
 Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
-var argparse = (0, tslib_1.__importStar)(require("argparse"));
-var util = (0, tslib_1.__importStar)(require("util"));
-var fs = (0, tslib_1.__importStar)(require("fs"));
-var zlib = (0, tslib_1.__importStar)(require("zlib"));
+var argparse = tslib_1.__importStar(require("argparse"));
+var util = tslib_1.__importStar(require("util"));
+var fs = tslib_1.__importStar(require("fs"));
+var zlib = tslib_1.__importStar(require("zlib"));
 var converter_1 = require("./converter");
 require('util.promisify').shim();
 function process(srcPath, outPath, configPath, filterPath) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var config, filter, res;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0:
                     config = configPath ? JSON.parse(fs.readFileSync(configPath, 'utf8')) : void 0;
                     filter = filterPath ? fs.readFileSync(filterPath, 'utf8') : void 0;
-                    return [4 /*yield*/, (0, converter_1.convert)(srcPath, false, config, filter)];
+                    return [4 /*yield*/, (0, converter_1.convert)(srcPath, srcPath.toLowerCase().indexOf('.bcif') > 0, config, filter)];
                 case 1:
                     res = _a.sent();
                     return [4 /*yield*/, write(outPath, res)];
@@ -35,9 +35,9 @@ function process(srcPath, outPath, configPath, filterPath) {
 }
 var zipAsync = util.promisify(zlib.gzip);
 function write(outPath, res) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var isGz;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0:
                     isGz = /\.gz$/i.test(outPath);
@@ -58,13 +58,13 @@ function run(args) {
 }
 var parser = new argparse.ArgumentParser({
     add_help: true,
-    description: 'Convert any CIF file to a BCIF file'
+    description: 'Convert any BCIF file to a CIF file or vice versa'
 });
 parser.add_argument('src', {
-    help: 'Source CIF path'
+    help: 'Source file path'
 });
 parser.add_argument('out', {
-    help: 'Output BCIF path'
+    help: 'Output file path'
 });
 parser.add_argument('-c', '--config', {
     help: 'Optional encoding strategy/precision config path',

package/lib/commonjs/cli/cifschema/index.js

@@ -7,10 +7,10 @@
  */
 Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
-var argparse = (0, tslib_1.__importStar)(require("argparse"));
-var fs = (0, tslib_1.__importStar)(require("fs"));
-var path = (0, tslib_1.__importStar)(require("path"));
-var node_fetch_1 = (0, tslib_1.__importDefault)(require("node-fetch"));
+var argparse = tslib_1.__importStar(require("argparse"));
+var fs = tslib_1.__importStar(require("fs"));
+var path = tslib_1.__importStar(require("path"));
+var node_fetch_1 = tslib_1.__importDefault(require("node-fetch"));
 var parser_1 = require("../../mol-io/reader/csv/parser");
 var parser_2 = require("../../mol-io/reader/cif/text/parser");
 var cif_dic_1 = require("./util/cif-dic");
@@ -24,9 +24,9 @@ function getDicNamespace(block) {
 }
 function runGenerateSchemaMmcif(name, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
     if (typescript === void 0) { typescript = false; }
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var mmcifDic, ihmDic, maDic, mmcifDicVersion, ihmDicVersion, maDicVersion, version, frames, schema;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, ensureMmcifDicAvailable()];
                 case 1:
@@ -56,7 +56,7 @@ function runGenerateSchemaMmcif(name, fieldNamesPath, typescript, out, moldbImpo
                     ihmDicVersion = getDicVersion(ihmDic.result.blocks[0]);
                     maDicVersion = getDicVersion(maDic.result.blocks[0]);
                     version = "Dictionary versions: mmCIF ".concat(mmcifDicVersion, ", IHM ").concat(ihmDicVersion, ", MA ").concat(maDicVersion, ".");
-                    frames = (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([], mmcifDic.result.blocks[0].saveFrames, true), ihmDic.result.blocks[0].saveFrames, true), maDic.result.blocks[0].saveFrames, true);
+                    frames = tslib_1.__spreadArray(tslib_1.__spreadArray(tslib_1.__spreadArray([], mmcifDic.result.blocks[0].saveFrames, true), ihmDic.result.blocks[0].saveFrames, true), maDic.result.blocks[0].saveFrames, true);
                     schema = (0, cif_dic_1.generateSchema)(frames);
                     return [4 /*yield*/, runGenerateSchema(name, version, schema, fieldNamesPath, typescript, out, moldbImportPath, addAliases)];
                 case 7:
@@ -68,9 +68,9 @@ function runGenerateSchemaMmcif(name, fieldNamesPath, typescript, out, moldbImpo
 }
 function runGenerateSchemaCifCore(name, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
     if (typescript === void 0) { typescript = false; }
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var cifCoreDic, cifCoreDicVersion, version, frames, imports, schema;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, ensureCifCoreDicAvailable()];
                 case 1:
@@ -82,7 +82,7 @@ function runGenerateSchemaCifCore(name, fieldNamesPath, typescript, out, moldbIm
                         throw cifCoreDic;
                     cifCoreDicVersion = getDicVersion(cifCoreDic.result.blocks[0]);
                     version = "Dictionary versions: CifCore ".concat(cifCoreDicVersion, ".");
-                    frames = (0, tslib_1.__spreadArray)([], cifCoreDic.result.blocks[0].saveFrames, true);
+                    frames = tslib_1.__spreadArray([], cifCoreDic.result.blocks[0].saveFrames, true);
                     return [4 /*yield*/, resolveImports(frames, DIC_DIR)];
                 case 3:
                     imports = _a.sent();
@@ -96,9 +96,9 @@ function runGenerateSchemaCifCore(name, fieldNamesPath, typescript, out, moldbIm
     });
 }
 function resolveImports(frames, baseDir) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var imports, _i, frames_1, d, importGet, _a, importGet_1, g, file, dic;
-        return (0, tslib_1.__generator)(this, function (_b) {
+        return tslib_1.__generator(this, function (_b) {
             switch (_b.label) {
                 case 0:
                     imports = new Map();
@@ -124,7 +124,7 @@ function resolveImports(frames, baseDir) {
                     dic = _b.sent();
                     if (dic.isError)
                         throw dic;
-                    imports.set(file, (0, tslib_1.__spreadArray)([], dic.result.blocks[0].saveFrames, true));
+                    imports.set(file, tslib_1.__spreadArray([], dic.result.blocks[0].saveFrames, true));
                     _b.label = 4;
                 case 4:
                     _a++;
@@ -139,9 +139,9 @@ function resolveImports(frames, baseDir) {
 }
 function runGenerateSchemaDic(name, dicPath, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
     if (typescript === void 0) { typescript = false; }
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var dic, dicVersion, dicName, version, frames, imports, schema;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, (0, parser_2.parseCifText)(fs.readFileSync(dicPath, 'utf8')).run()];
                 case 1:
@@ -151,7 +151,7 @@ function runGenerateSchemaDic(name, dicPath, fieldNamesPath, typescript, out, mo
                     dicVersion = getDicVersion(dic.result.blocks[0]);
                     dicName = getDicNamespace(dic.result.blocks[0]);
                     version = "Dictionary versions: ".concat(dicName, " ").concat(dicVersion, ".");
-                    frames = (0, tslib_1.__spreadArray)([], dic.result.blocks[0].saveFrames, true);
+                    frames = tslib_1.__spreadArray([], dic.result.blocks[0].saveFrames, true);
                     return [4 /*yield*/, resolveImports(frames, path.dirname(dicPath))];
                 case 2:
                     imports = _a.sent();
@@ -166,9 +166,9 @@ function runGenerateSchemaDic(name, dicPath, fieldNamesPath, typescript, out, mo
 }
 function runGenerateSchema(name, version, schema, fieldNamesPath, typescript, out, moldbImportPath, addAliases) {
     if (typescript === void 0) { typescript = false; }
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var filter, _a, output;
-        return (0, tslib_1.__generator)(this, function (_b) {
+        return tslib_1.__generator(this, function (_b) {
             switch (_b.label) {
                 case 0:
                     if (!fieldNamesPath) return [3 /*break*/, 2];
@@ -194,9 +194,9 @@ function runGenerateSchema(name, version, schema, fieldNamesPath, typescript, ou
     });
 }
 function getFieldNamesFilter(fieldNamesPath) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var fieldNamesStr, parsed, csvFile, fieldNamesCol, fieldNames, filter;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0:
                     fieldNamesStr = fs.readFileSync(fieldNamesPath, 'utf8');
@@ -224,7 +224,7 @@ function getFieldNamesFilter(fieldNamesPath) {
     });
 }
 function ensureMmcifDicAvailable() {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
+    return tslib_1.__awaiter(this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
         switch (_a.label) {
             case 0: return [4 /*yield*/, ensureDicAvailable(MMCIF_DIC_PATH, MMCIF_DIC_URL)];
             case 1:
@@ -234,7 +234,7 @@ function ensureMmcifDicAvailable() {
     }); });
 }
 function ensureIhmDicAvailable() {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
+    return tslib_1.__awaiter(this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
         switch (_a.label) {
             case 0: return [4 /*yield*/, ensureDicAvailable(IHM_DIC_PATH, IHM_DIC_URL)];
             case 1:
@@ -244,7 +244,7 @@ function ensureIhmDicAvailable() {
     }); });
 }
 function ensureMaDicAvailable() {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
+    return tslib_1.__awaiter(this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
         switch (_a.label) {
             case 0: return [4 /*yield*/, ensureDicAvailable(MA_DIC_PATH, MA_DIC_URL)];
             case 1:
@@ -254,8 +254,8 @@ function ensureMaDicAvailable() {
     }); });
 }
 function ensureCifCoreDicAvailable() {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
-        return (0, tslib_1.__generator)(this, function (_a) {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, ensureDicAvailable(CIF_CORE_DIC_PATH, CIF_CORE_DIC_URL)];
                 case 1:
@@ -272,9 +272,9 @@ function ensureCifCoreDicAvailable() {
     });
 }
 function ensureDicAvailable(dicPath, dicUrl) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var name_1, data, _a, _b, _c;
-        return (0, tslib_1.__generator)(this, function (_d) {
+        return tslib_1.__generator(this, function (_d) {
             switch (_d.label) {
                 case 0:
                     if (!(FORCE_DIC_DOWNLOAD || !fs.existsSync(dicPath))) return [3 /*break*/, 3];

package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */

package/lib/commonjs/cli/cifschema/util/cif-dic.js

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -13,15 +13,17 @@ function getFieldType(type, description, values, container) {
     switch (type) {
         // mmCIF
         case 'code':
-        case 'ucode':
         case 'line':
-        case 'uline':
         case 'text':
         case 'char':
-        case 'uchar3':
-        case 'uchar1':
         case 'boolean':
             return values && values.length ? (0, schema_1.EnumCol)(values, 'str', description) : (0, schema_1.StrCol)(description);
+        case 'ucode':
+        case 'uline':
+        case 'uchar3':
+        case 'uchar1':
+            // only force lower-case for enums
+            return values && values.length ? (0, schema_1.EnumCol)(values.map(function (x) { return x.toLowerCase(); }), 'lstr', description) : (0, schema_1.StrCol)(description);
         case 'aliasname':
         case 'name':
         case 'idname':
@@ -284,7 +286,7 @@ var EXTRA_ENUM_VALUES = {};
 function generateSchema(frames, imports) {
     if (imports === void 0) { imports = new Map(); }
     var tables = {};
-    var aliases = (0, tslib_1.__assign)({}, EXTRA_ALIASES);
+    var aliases = tslib_1.__assign({}, EXTRA_ALIASES);
     var categories = {};
     var links = {};
     var ctx = { categories: categories, links: links };

package/lib/commonjs/cli/cifschema/util/generate.d.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2017-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */

package/lib/commonjs/cli/cifschema/util/generate.js

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * Copyright (c) 2017-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -9,7 +9,7 @@ exports.generate = void 0;
 var string_1 = require("../../../mol-util/string");
 var schema_1 = require("../../../mol-io/reader/cif/schema");
 function header(name, info, moldataImportPath) {
-    return "/**\n * Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.\n *\n * Code-generated '".concat(name, "' schema file. ").concat(info, "\n *\n * @author molstar/ciftools package\n */\n\nimport { Database, Column } from '").concat(moldataImportPath, "/db';\n\nimport Schema = Column.Schema;");
+    return "/**\n * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.\n *\n * Code-generated '".concat(name, "' schema file. ").concat(info, "\n *\n * @author molstar/ciftools package\n */\n\nimport { Database, Column } from '").concat(moldataImportPath, "/db';\n\nimport Schema = Column.Schema;");
 }
 function footer(name) {
     return "\nexport type ".concat(name, "_Schema = typeof ").concat(name, "_Schema;\nexport interface ").concat(name, "_Database extends Database<").concat(name, "_Schema> {};");
@@ -23,7 +23,10 @@ function getTypeShorthands(schema, fields) {
         Object.keys(columns).forEach(function (columnName) {
             if (fields && !fields[table][columnName])
                 return;
-            types.add(schema.tables[table].columns[columnName].type);
+            var col = schema.tables[table].columns[columnName];
+            if (col.type === 'enum')
+                types.add(col.subType);
+            types.add(col.type);
         });
     });
     var shorthands = [];
@@ -32,6 +35,12 @@ function getTypeShorthands(schema, fields) {
             case 'str':
                 shorthands.push('const str = Schema.str;');
                 break;
+            case 'ustr':
+                shorthands.push('const ustr = Schema.ustr;');
+                break;
+            case 'lstr':
+                shorthands.push('const lstr = Schema.lstr;');
+                break;
             case 'int':
                 shorthands.push('const int = Schema.int;');
                 break;

package/lib/commonjs/cli/cifschema/util/schema.d.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2017-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -40,10 +40,10 @@ export declare type CoordCol = {
 export declare function CoordCol(description: string): CoordCol;
 export declare type EnumCol = {
     type: 'enum';
-    subType: 'int' | 'str';
+    subType: 'int' | 'str' | 'ustr' | 'lstr';
     values: string[];
 } & BaseCol;
-export declare function EnumCol(values: string[], subType: 'int' | 'str', description: string): EnumCol;
+export declare function EnumCol(values: string[], subType: 'int' | 'str' | 'ustr' | 'lstr', description: string): EnumCol;
 export declare type VectorCol = {
     type: 'vector';
     length: number;

package/lib/commonjs/cli/cifschema/util/schema.js

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * Copyright (c) 2017-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */

package/lib/commonjs/cli/lipid-params/index.js

@@ -7,18 +7,18 @@
  */
 Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
-var argparse = (0, tslib_1.__importStar)(require("argparse"));
-var fs = (0, tslib_1.__importStar)(require("fs"));
-var path = (0, tslib_1.__importStar)(require("path"));
-var node_fetch_1 = (0, tslib_1.__importDefault)(require("node-fetch"));
+var argparse = tslib_1.__importStar(require("argparse"));
+var fs = tslib_1.__importStar(require("fs"));
+var path = tslib_1.__importStar(require("path"));
+var node_fetch_1 = tslib_1.__importDefault(require("node-fetch"));
 var generic_1 = require("../../mol-data/generic");
 var LIPIDS_DIR = path.resolve(__dirname, '../../../../build/lipids/');
 var MARTINI_LIPIDS_PATH = path.resolve(LIPIDS_DIR, 'martini_lipids.itp');
 var MARTINI_LIPIDS_URL = 'http://www.cgmartini.nl/images/parameters/lipids/Collections/martini_v2.0_lipids_all_201506.itp';
 function ensureAvailable(path, url) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var name_1, data, _a, _b, _c;
-        return (0, tslib_1.__generator)(this, function (_d) {
+        return tslib_1.__generator(this, function (_d) {
             switch (_d.label) {
                 case 0:
                     if (!(FORCE_DOWNLOAD || !fs.existsSync(path))) return [3 /*break*/, 3];
@@ -43,7 +43,7 @@ function ensureAvailable(path, url) {
     });
 }
 function ensureLipidsAvailable() {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () { return (0, tslib_1.__generator)(this, function (_a) {
+    return tslib_1.__awaiter(this, void 0, void 0, function () { return tslib_1.__generator(this, function (_a) {
         switch (_a.label) {
             case 0: return [4 /*yield*/, ensureAvailable(MARTINI_LIPIDS_PATH, MARTINI_LIPIDS_URL)];
             case 1:
@@ -54,9 +54,9 @@ function ensureLipidsAvailable() {
 }
 var extraLipids = ['DMPC'];
 function run(out) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var lipidsItpStr, lipids, reLipid, m, v, _i, extraLipids_1, v, lipidNames, output;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, ensureLipidsAvailable()];
                 case 1:

package/lib/commonjs/cli/state-docs/index.js

@@ -7,10 +7,10 @@
  */
 Object.defineProperty(exports, "__esModule", { value: true });
 var tslib_1 = require("tslib");
-var _ = (0, tslib_1.__importStar)(require("../../mol-plugin-state/transforms"));
+var _ = tslib_1.__importStar(require("../../mol-plugin-state/transforms"));
 var mol_state_1 = require("../../mol-state");
 var mol_util_1 = require("../../mol-util");
-var fs = (0, tslib_1.__importStar)(require("fs"));
+var fs = tslib_1.__importStar(require("fs"));
 var pd_to_md_1 = require("./pd-to-md");
 var context_1 = require("../../mol-plugin/context");
 var param_definition_1 = require("../../mol-util/param-definition");

package/lib/commonjs/cli/structure-info/helpers.js

@@ -7,17 +7,17 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.downloadCif = exports.openCif = void 0;
 var tslib_1 = require("tslib");
-var util = (0, tslib_1.__importStar)(require("util"));
-var fs = (0, tslib_1.__importStar)(require("fs"));
-var node_fetch_1 = (0, tslib_1.__importDefault)(require("node-fetch"));
+var util = tslib_1.__importStar(require("util"));
+var fs = tslib_1.__importStar(require("fs"));
+var node_fetch_1 = tslib_1.__importDefault(require("node-fetch"));
 require('util.promisify').shim();
 var cif_1 = require("../../mol-io/reader/cif");
 var mol_task_1 = require("../../mol-task");
 var readFileAsync = util.promisify(fs.readFile);
 function readFile(path) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var input, data, i;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0:
                     if (!path.match(/\.bcif$/)) return [3 /*break*/, 2];
@@ -34,9 +34,9 @@ function readFile(path) {
     });
 }
 function parseCif(data) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var comp, parsed;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0:
                     comp = cif_1.CIF.parse(data);
@@ -51,9 +51,9 @@ function parseCif(data) {
     });
 }
 function openCif(path) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var data;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, readFile(path)];
                 case 1:
@@ -65,9 +65,9 @@ function openCif(path) {
 }
 exports.openCif = openCif;
 function downloadCif(url, isBinary) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var data, _a, _b, _c;
-        return (0, tslib_1.__generator)(this, function (_d) {
+        return tslib_1.__generator(this, function (_d) {
             switch (_d.label) {
                 case 0: return [4 /*yield*/, (0, node_fetch_1.default)(url)];
                 case 1:

package/lib/commonjs/cli/structure-info/model.js

@@ -9,7 +9,7 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.getModelsAndStructure = exports.printModelStats = exports.printSymmetryInfo = exports.printUnits = exports.printRings = exports.printSequence = exports.printBonds = exports.printSecStructure = exports.residueLabel = exports.atomLabel = exports.readCifFile = void 0;
 var tslib_1 = require("tslib");
-var argparse = (0, tslib_1.__importStar)(require("argparse"));
+var argparse = tslib_1.__importStar(require("argparse"));
 require('util.promisify').shim();
 var structure_1 = require("../../mol-model/structure");
 // import { Run, Progress } from '../../mol-task'
@@ -22,9 +22,9 @@ var secondary_structure_1 = require("../../mol-model-formats/structure/property/
 var symmetry_1 = require("../../mol-model-formats/structure/property/symmetry");
 var mol_task_1 = require("../../mol-task");
 function downloadFromPdb(pdb) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var parsed;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, (0, helpers_1.downloadCif)("http://www.ebi.ac.uk/pdbe/static/entry/".concat(pdb, "_updated.cif"), false)];
                 case 1:
@@ -35,9 +35,9 @@ function downloadFromPdb(pdb) {
     });
 }
 function readCifFile(path) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var parsed;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, (0, helpers_1.openCif)(path)];
                 case 1:
@@ -210,9 +210,9 @@ function printSymmetryInfo(model) {
 }
 exports.printSymmetryInfo = printSymmetryInfo;
 function printModelStats(models) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var i, m;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0:
                     console.log('\nModels\n=============');
@@ -242,9 +242,9 @@ function printModelStats(models) {
 }
 exports.printModelStats = printModelStats;
 function getModelsAndStructure(frame) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var models, structure;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, (0, mmcif_1.trajectoryFromMmCIF)(frame).run()];
                 case 1:
@@ -257,9 +257,9 @@ function getModelsAndStructure(frame) {
 }
 exports.getModelsAndStructure = getModelsAndStructure;
 function run(frame, args) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var _a, models, structure;
-        return (0, tslib_1.__generator)(this, function (_b) {
+        return tslib_1.__generator(this, function (_b) {
             switch (_b.label) {
                 case 0: return [4 /*yield*/, getModelsAndStructure(frame)];
                 case 1:
@@ -286,9 +286,9 @@ function run(frame, args) {
     });
 }
 function runDL(pdb, args) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var mmcif;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, downloadFromPdb(pdb)];
                 case 1:
@@ -300,9 +300,9 @@ function runDL(pdb, args) {
     });
 }
 function runFile(filename, args) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var mmcif;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0: return [4 /*yield*/, readCifFile(filename)];
                 case 1: