molstar 3.0.0-dev.0 → 3.0.0-dev.5

package/lib/commonjs/perf-tests/lookup3d.js

@@ -1,89 +0,0 @@
-"use strict";
-Object.defineProperty(exports, "__esModule", { value: true });
-exports.test = exports.readCIF = void 0;
-var tslib_1 = require("tslib");
-var util = (0, tslib_1.__importStar)(require("util"));
-var fs = (0, tslib_1.__importStar)(require("fs"));
-var cif_1 = require("../mol-io/reader/cif");
-var structure_1 = require("../mol-model/structure");
-var geometry_1 = require("../mol-math/geometry");
-// import { sortArray } from 'mol-data/util';
-var int_1 = require("../mol-data/int");
-var mmcif_1 = require("../mol-model-formats/structure/mmcif");
-var boundary_1 = require("../mol-math/geometry/boundary");
-require('util.promisify').shim();
-var readFileAsync = util.promisify(fs.readFile);
-function readData(path) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
-        var input, data, i;
-        return (0, tslib_1.__generator)(this, function (_a) {
-            switch (_a.label) {
-                case 0:
-                    if (!path.match(/\.bcif$/)) return [3 /*break*/, 2];
-                    return [4 /*yield*/, readFileAsync(path)];
-                case 1:
-                    input = _a.sent();
-                    data = new Uint8Array(input.byteLength);
-                    for (i = 0; i < input.byteLength; i++)
-                        data[i] = input[i];
-                    return [2 /*return*/, data];
-                case 2: return [2 /*return*/, readFileAsync(path, 'utf8')];
-            }
-        });
-    });
-}
-function readCIF(path) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
-        var input, comp, parsed, models, structures;
-        return (0, tslib_1.__generator)(this, function (_a) {
-            switch (_a.label) {
-                case 0: return [4 /*yield*/, readData(path)];
-                case 1:
-                    input = _a.sent();
-                    comp = typeof input === 'string' ? cif_1.CIF.parseText(input) : cif_1.CIF.parseBinary(input);
-                    return [4 /*yield*/, comp.run()];
-                case 2:
-                    parsed = _a.sent();
-                    if (parsed.isError) {
-                        throw parsed;
-                    }
-                    return [4 /*yield*/, (0, mmcif_1.trajectoryFromMmCIF)(parsed.result.blocks[0]).run()];
-                case 3:
-                    models = _a.sent();
-                    structures = [structure_1.Structure.ofModel(models.representative)];
-                    return [2 /*return*/, { mmcif: models.representative.sourceData.data, models: models, structures: structures }];
-            }
-        });
-    });
-}
-exports.readCIF = readCIF;
-function test() {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
-        var _a, mmcif, structures, position, lookup, result;
-        return (0, tslib_1.__generator)(this, function (_b) {
-            switch (_b.label) {
-                case 0: return [4 /*yield*/, readCIF('e:/test/quick/1tqn_updated.cif')];
-                case 1:
-                    _a = _b.sent(), mmcif = _a.mmcif, structures = _a.structures;
-                    position = { x: mmcif.db.atom_site.Cartn_x.toArray(), y: mmcif.db.atom_site.Cartn_y.toArray(), z: mmcif.db.atom_site.Cartn_z.toArray(),
-                        indices: int_1.OrderedSet.ofBounds(0, mmcif.db.atom_site._rowCount),
-                        // radius: [1, 1, 1, 1]
-                        // indices: [1]
-                    };
-                    lookup = (0, geometry_1.GridLookup3D)(position, (0, boundary_1.getBoundary)(position));
-                    console.log(lookup.boundary.box, lookup.boundary.sphere);
-                    result = lookup.find(-30.07, 8.178, -13.897, 10);
-                    console.log(result.count); // , sortArray(result.indices));
-                    // const sl = structures[0].lookup3d;
-                    // const result1 = sl.find(-30.07, 8.178, -13.897, 10);
-                    // console.log(result1.count);//, result1.indices);
-                    console.log(structures[0].boundary);
-                    console.log(lookup.boundary);
-                    return [2 /*return*/];
-            }
-        });
-    });
-}
-exports.test = test;
-test();
-//# sourceMappingURL=lookup3d.js.map

package/lib/commonjs/perf-tests/lookup3d.js.map

@@ -1 +0,0 @@
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package/lib/commonjs/perf-tests/markers-average.d.ts

@@ -1 +0,0 @@
-export declare function run(elements: number, instances: number): void;

package/lib/commonjs/perf-tests/markers-average.js

@@ -1,195 +0,0 @@
-"use strict";
-Object.defineProperty(exports, "__esModule", { value: true });
-exports.run = void 0;
-var tslib_1 = require("tslib");
-var B = (0, tslib_1.__importStar)(require("benchmark"));
-function uint8ForLoop(array, count) {
-    if (count === 0)
-        return 0;
-    var sum = 0;
-    for (var i = 0; i < count; ++i) {
-        sum += array[i] && 1;
-    }
-    return sum / count;
-}
-function uint32ForLoop(array, count) {
-    if (count === 0)
-        return 0;
-    var view = new Uint32Array(array.buffer, 0, array.buffer.byteLength >> 2);
-    var viewEnd = (count - 4) >> 2;
-    var backStart = 4 * viewEnd;
-    var sum = 0;
-    for (var i = 0; i < viewEnd; ++i) {
-        var v = view[i];
-        sum += ((v & 0xFF) && 1) + ((v & 0xFF00) && 1) + ((v & 0xFF0000) && 1) + ((v & 0xFF000000) && 1);
-    }
-    for (var i = backStart; i < count; ++i) {
-        sum += array[i] && 1;
-    }
-    return sum / count;
-}
-function uint32ForLoopAddOnlyBaseline(array, count) {
-    if (count === 0)
-        return 0;
-    var view = new Uint32Array(array.buffer, 0, array.buffer.byteLength >> 2);
-    var viewEnd = (count - 4) >> 2;
-    var backStart = 4 * viewEnd;
-    var sum = 0;
-    for (var i = 0; i < viewEnd; ++i) {
-        var v = view[i];
-        sum += v;
-    }
-    for (var i = backStart; i < count; ++i) {
-        sum += array[i] && 1;
-    }
-    return sum / count;
-}
-function createTypedLut() {
-    var lut = new Uint8Array(0x0303 + 1);
-    lut[0x0001] = 1;
-    lut[0x0002] = 1;
-    lut[0x0003] = 1;
-    lut[0x0100] = 1;
-    lut[0x0200] = 1;
-    lut[0x0300] = 1;
-    lut[0x0101] = 2;
-    lut[0x0201] = 2;
-    lut[0x0301] = 2;
-    lut[0x0102] = 2;
-    lut[0x0202] = 2;
-    lut[0x0302] = 2;
-    lut[0x0103] = 2;
-    lut[0x0203] = 2;
-    lut[0x0303] = 2;
-    return lut;
-}
-function createNativeLut() {
-    var lut = [];
-    for (var i = 0, il = 0x0303 + 1; i < il; ++i)
-        lut[i] = 0;
-    lut[0x0000] = 0;
-    lut[0x0001] = 1;
-    lut[0x0002] = 1;
-    lut[0x0003] = 1;
-    lut[0x0100] = 1;
-    lut[0x0200] = 1;
-    lut[0x0300] = 1;
-    lut[0x0101] = 2;
-    lut[0x0201] = 2;
-    lut[0x0301] = 2;
-    lut[0x0102] = 2;
-    lut[0x0202] = 2;
-    lut[0x0302] = 2;
-    lut[0x0103] = 2;
-    lut[0x0203] = 2;
-    lut[0x0303] = 2;
-    return lut;
-}
-function createTypedLut2bits() {
-    var lut = new Uint8Array(256);
-    for (var a = 0; a < 4; ++a) {
-        for (var b = 0; b < 4; ++b) {
-            for (var c = 0; c < 4; ++c) {
-                for (var d = 0; d < 4; ++d) {
-                    var i = d | c << 2 | b << 4 | a << 6;
-                    var v = (a && 1) + (b && 1) + (c && 1) + (d && 1);
-                    lut[i] = v;
-                    // console.log([a, b, c, d], i, v);
-                }
-            }
-        }
-    }
-    return lut;
-}
-var lutNative = createNativeLut();
-var lutTyped = createTypedLut();
-var lutTyped2bits = createTypedLut2bits();
-function uint32ForLoopWithLutNative(array, count) {
-    if (count === 0)
-        return 0;
-    var view = new Uint32Array(array.buffer, 0, array.buffer.byteLength >> 2);
-    var viewEnd = (count - 4) >> 2;
-    var backStart = 4 * viewEnd;
-    var sum = 0;
-    for (var i = 0; i < viewEnd; ++i) {
-        var v = view[i];
-        sum += lutNative[v & 0xFFFF] + lutNative[v >> 16];
-    }
-    for (var i = backStart; i < count; ++i) {
-        sum += array[i] && 1;
-    }
-    return sum / count;
-}
-function uint32ForLoopWithLutTyped(array, count) {
-    if (count === 0)
-        return 0;
-    var view = new Uint32Array(array.buffer, 0, array.buffer.byteLength >> 2);
-    var viewEnd = (count - 4) >> 2;
-    var backStart = 4 * viewEnd;
-    var sum = 0;
-    for (var i = 0; i < viewEnd; ++i) {
-        var v = view[i];
-        sum += lutTyped[v & 0xFFFF] + lutTyped[v >> 16];
-    }
-    for (var i = backStart; i < count; ++i) {
-        sum += array[i] && 1;
-    }
-    return sum / count;
-}
-function uint32ForLoopWithLut2bits(array, count) {
-    if (count === 0)
-        return 0;
-    var view = new Uint32Array(array.buffer, 0, array.buffer.byteLength >> 2);
-    var viewEnd = (count - 4) >> 2;
-    var backStart = 4 * viewEnd;
-    var sum = 0;
-    for (var i = 0; i < viewEnd; ++i) {
-        var v = view[i];
-        sum += lutTyped2bits[(v >> 18 | v >> 12 | v >> 6 | v) & 0xFF];
-    }
-    for (var i = backStart; i < count; ++i) {
-        sum += array[i] && 1;
-    }
-    return sum / count;
-}
-function createData(elements, instances) {
-    var data = new Uint8Array(4000 * 5000);
-    var start = Math.floor(instances / 2);
-    data.fill(1, start, start + elements);
-    return data;
-}
-;
-function run(elements, instances) {
-    var suite = new B.Suite();
-    var count = elements * instances;
-    var data = createData(elements, instances);
-    console.log('uint8ForLoop', uint8ForLoop(data, count));
-    console.log('uint32ForLoop', uint32ForLoop(data, count));
-    console.log('uint32ForLoopWithLutNative', uint32ForLoopWithLutNative(data, count));
-    console.log('uint32ForLoopWithLutTyped', uint32ForLoopWithLutTyped(data, count));
-    console.log('uint32ForLoopWithLut2bits', uint32ForLoopWithLut2bits(data, count));
-    suite
-        .add('uint8ForLoop', function () { return uint8ForLoop(data, count); })
-        .add('uint32ForLoop', function () { return uint32ForLoop(data, count); })
-        .add('uint32ForLoopAddOnlyBaseline', function () { return uint32ForLoopAddOnlyBaseline(data, count); })
-        .add('uint32ForLoopWithLutNative', function () { return uint32ForLoopWithLutNative(data, count); })
-        .add('uint32ForLoopWithLutTyped', function () { return uint32ForLoopWithLutTyped(data, count); })
-        .add('uint32ForLoopWithLut2bits', function () { return uint32ForLoopWithLut2bits(data, count); })
-        .on('cycle', function (e) { return console.log(String(e.target)); })
-        .run();
-}
-exports.run = run;
-// console.log(createTypedLut2bits());
-// run(5000, 4000);
-// uint8ForLoop 0.00025
-// uint32ForLoop 0.00025
-// uint32ForLoopWithLutNative 0.00025
-// uint32ForLoopWithLutTyped 0.00025
-// uint32ForLoopWithLut2bits 0.00025
-// uint8ForLoop x 49.84 ops/sec ±3.30% (64 runs sampled)
-// uint32ForLoop x 97.70 ops/sec ±1.71% (71 runs sampled)
-// uint32ForLoopAddOnlyBaseline x 220 ops/sec ±2.49% (85 runs sampled)
-// uint32ForLoopWithLutNative x 135 ops/sec ±1.71% (76 runs sampled)
-// uint32ForLoopWithLutTyped x 137 ops/sec ±1.69% (77 runs sampled)
-// uint32ForLoopWithLut2bits x 111 ops/sec ±2.73% (70 runs sampled)
-//# sourceMappingURL=markers-average.js.map

package/lib/commonjs/perf-tests/markers-average.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"markers-average.js","sourceRoot":"","sources":["../../../src/perf-tests/markers-average.ts"],"names":[],"mappings":";;;;AAAA,wDAA+B;AAE/B,SAAS,YAAY,CAAC,KAAiB,EAAE,KAAa;IAClD,IAAI,KAAK,KAAK,CAAC;QAAE,OAAO,CAAC,CAAC;IAC1B,IAAI,GAAG,GAAG,CAAC,CAAC;IACZ,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,EAAE,CAAC,EAAE;QAC5B,GAAG,IAAI,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC;KACxB;IACD,OAAO,GAAG,GAAG,KAAK,CAAC;AACvB,CAAC;AAED,SAAS,aAAa,CAAC,KAAiB,EAAE,KAAa;IACnD,IAAI,KAAK,KAAK,CAAC;QAAE,OAAO,CAAC,CAAC;IAE1B,IAAM,IAAI,GAAG,IAAI,WAAW,CAAC,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,KAAK,CAAC,MAAM,CAAC,UAAU,IAAI,CAAC,CAAC,CAAC;IAC5E,IAAM,OAAO,GAAG,CAAC,KAAK,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC;IACjC,IAAM,SAAS,GAAG,CAAC,GAAG,OAAO,CAAC;IAE9B,IAAI,GAAG,GAAG,CAAC,CAAC;IACZ,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,EAAE,EAAE,CAAC,EAAE;QAC9B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;QAClB,GAAG,IAAI,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,GAAG,MAAM,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,GAAG,QAAQ,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,GAAG,UAAU,CAAC,IAAI,CAAC,CAAC,CAAC;KACpG;IACD,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,KAAK,EAAE,EAAE,CAAC,EAAE;QACpC,GAAG,IAAI,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC;KACxB;IACD,OAAO,GAAG,GAAG,KAAK,CAAC;AACvB,CAAC;AAED,SAAS,4BAA4B,CAAC,KAAiB,EAAE,KAAa;IAClE,IAAI,KAAK,KAAK,CAAC;QAAE,OAAO,CAAC,CAAC;IAE1B,IAAM,IAAI,GAAG,IAAI,WAAW,CAAC,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,KAAK,CAAC,MAAM,CAAC,UAAU,IAAI,CAAC,CAAC,CAAC;IAC5E,IAAM,OAAO,GAAG,CAAC,KAAK,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC;IACjC,IAAM,SAAS,GAAG,CAAC,GAAG,OAAO,CAAC;IAE9B,IAAI,GAAG,GAAG,CAAC,CAAC;IACZ,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,EAAE,EAAE,CAAC,EAAE;QAC9B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;QAClB,GAAG,IAAI,CAAC,CAAC;KACZ;IACD,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,KAAK,EAAE,EAAE,CAAC,EAAE;QACpC,GAAG,IAAI,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC;KACxB;IACD,OAAO,GAAG,GAAG,KAAK,CAAC;AACvB,CAAC;AAED,SAAS,cAAc;IACnB,IAAM,GAAG,GAAG,IAAI,UAAU,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC;IACvC,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,eAAe;IACpB,IAAM,GAAG,GAAa,EAAE,CAAC;IACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,MAAM,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC;QAAE,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;IACzD,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;IAChB,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,mBAAmB;IACxB,IAAM,GAAG,GAAG,IAAI,UAAU,CAAC,GAAG,CAAC,CAAC;IAChC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;QACxB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;YACxB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;gBACxB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;oBACxB,IAAM,CAAC,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;oBACvC,IAAM,CAAC,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC;oBACpD,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;oBACX,mCAAmC;iBACtC;aACJ;SACJ;KACJ;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AAED,IAAM,SAAS,GAAG,eAAe,EAAE,CAAC;AACpC,IAAM,QAAQ,GAAG,cAAc,EAAE,CAAC;AAClC,IAAM,aAAa,GAAG,mBAAmB,EAAE,CAAC;AAE5C,SAAS,0BAA0B,CAAC,KAAiB,EAAE,KAAa;IAChE,IAAI,KAAK,KAAK,CAAC;QAAE,OAAO,CAAC,CAAC;IAE1B,IAAM,IAAI,GAAG,IAAI,WAAW,CAAC,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,KAAK,CAAC,MAAM,CAAC,UAAU,IAAI,CAAC,CAAC,CAAC;IAC5E,IAAM,OAAO,GAAG,CAAC,KAAK,GAAG,CAAC,CAAC,IAAI,CAAC,CAAC;IACjC,IAAM,SAAS,GAAG,CAAC,GAAG,OAAO,CAAC;IAE9B,IAAI,GAAG,GAAG,CAAC,CAAC;IACZ,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,EAAE,EAAE,CAAC,EAAE;QAC9B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC;QAClB,GAAG,IAAI,SAAS,CAAC,CAAC,GAAG,MAAM,CAAC,GAAG,SAAS,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC;KACrD;IACD,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,KAAK,EAAE,EAAE,CAAC,EAAE;QACpC,GAAG,IAAI,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC;KACxB;IACD,OAAO,GAAG,GAAG,KAAK,CAAC;A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package/lib/commonjs/perf-tests/mol-script.d.ts

@@ -1 +0,0 @@
-export declare function testQ(): Promise<void>;

package/lib/commonjs/perf-tests/mol-script.js

@@ -1,99 +0,0 @@
-"use strict";
-Object.defineProperty(exports, "__esModule", { value: true });
-exports.testQ = void 0;
-var tslib_1 = require("tslib");
-var builder_1 = require("../mol-script/language/builder");
-var compiler_1 = require("../mol-script/runtime/query/compiler");
-var structure_1 = require("../mol-model/structure");
-var model_1 = require("../cli/structure-info/model");
-var symbol_1 = require("../mol-script/language/symbol");
-var type_1 = require("../mol-script/language/type");
-var parser_1 = require("../mol-script/language/parser");
-var util = (0, tslib_1.__importStar)(require("util"));
-var symbols_1 = require("../mol-script/script/mol-script/symbols");
-var expression_formatter_1 = require("../mol-script/language/expression-formatter");
-var prop_1 = require("../extensions/pdbe/structure-quality-report/prop");
-var node_fetch_1 = (0, tslib_1.__importDefault)(require("node-fetch"));
-var custom_property_1 = require("../mol-model/custom-property");
-// import Examples from 'mol-script/script/mol-script/examples'
-// import { parseMolScript } from 'mol-script/script/mol-script/parser'
-// //import { compileAST } from 'mol-script/script/mol-script/compile';
-// for (const e of Examples) {
-//     const expr = parseMolScript(e.value)[0];
-//     console.log(e.name, util.inspect(expr, true, 10, true));
-// }
-// const exprs = parseMolScript(`(sel.atom.atom-groups
-//     :residue-test (= atom.auth_comp_id ALA)
-//     ;; ho ho ho
-//     :atom-test (set.has { _C _N } atom.el)) ; comm
-//     ;; this is a comment
-//     ((hi) (ho))`);
-// ;; :residue-test (= atom.label_comp_id REA)
-var exprs = (0, parser_1.parseMolScript)("(sel.atom.atom-groups\n    :residue-test (> pdbe.structure-quality.issue-count 0)\n    :atom-test (= atom.el _C))");
-var tsp = (0, symbols_1.transpileMolScript)(exprs[0]);
-// console.log(util.inspect(exprs, true, 10, true));
-console.log(util.inspect(tsp, true, 10, true));
-console.log(expression_formatter_1.formatMolScript);
-console.log((0, expression_formatter_1.formatMolScript)(tsp));
-// //console.log(expr);
-var expr = builder_1.MolScriptBuilder.core.math.add([1, 2, 3]);
-var compiled = (0, compiler_1.compile)(expr);
-var result = compiled(new structure_1.QueryContext(structure_1.Structure.Empty));
-console.log(result);
-var CustomProp = (0, custom_property_1.CustomPropertyDescriptor)({
-    name: 'test_prop',
-    cifExport: { prefix: '', categories: [] },
-    symbols: {
-        residueIndex: compiler_1.QuerySymbolRuntime.Dynamic((0, symbol_1.CustomPropSymbol)('custom.test-prop', 'residue-index', type_1.Type.Num), function (ctx) {
-            var e = ctx.element;
-            // console.log(e.element, e.unit.model.atomicHierarchy.residueAtomSegments.index[e.element])
-            return e.unit.model.atomicHierarchy.residueAtomSegments.index[e.element];
-        })
-    }
-});
-compiler_1.DefaultQueryRuntimeTable.addCustomProp(CustomProp);
-compiler_1.DefaultQueryRuntimeTable.addCustomProp(prop_1.StructureQualityReportProvider.descriptor);
-function testQ() {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
-        var frame, structure, model, rawData, data, _a, _b, _c, expr, compiled, result;
-        return (0, tslib_1.__generator)(this, function (_d) {
-            switch (_d.label) {
-                case 0: return [4 /*yield*/, (0, model_1.readCifFile)('e:/test/quick/1cbs_updated.cif')];
-                case 1:
-                    frame = _d.sent();
-                    return [4 /*yield*/, (0, model_1.getModelsAndStructure)(frame)];
-                case 2:
-                    structure = (_d.sent()).structure;
-                    model = structure.models[0];
-                    return [4 /*yield*/, (0, node_fetch_1.default)("https://www.ebi.ac.uk/pdbe/api/validation/residuewise_outlier_summary/entry/".concat(model.entryId.toLowerCase()))];
-                case 3:
-                    rawData = _d.sent();
-                    _b = (_a = prop_1.StructureQualityReport).fromJson;
-                    _c = [model];
-                    return [4 /*yield*/, rawData.json()];
-                case 4:
-                    data = _b.apply(_a, _c.concat([_d.sent()]));
-                    prop_1.StructureQualityReportProvider.set(model, { serverUrl: '' }, data);
-                    expr = builder_1.MolScriptBuilder.struct.generator.atomGroups({
-                        'atom-test': builder_1.MolScriptBuilder.core.rel.eq([
-                            builder_1.MolScriptBuilder.struct.atomProperty.core.elementSymbol(),
-                            builder_1.MolScriptBuilder.es('C')
-                        ]),
-                        // 'residue-test': MolScriptBuilder.core.rel.eq([
-                        //     MolScriptBuilder.struct.atomProperty.macromolecular.label_comp_id(),
-                        //     'REA'
-                        // ])
-                        'residue-test': builder_1.MolScriptBuilder.core.rel.inRange([CustomProp.symbols.residueIndex.symbol(), 1, 5])
-                    });
-                    expr = tsp;
-                    compiled = (0, compiler_1.compile)(expr);
-                    result = compiled(new structure_1.QueryContext(structure));
-                    console.log(result);
-                    return [2 /*return*/];
-            }
-        });
-    });
-}
-exports.testQ = testQ;
-testQ();
-//# sourceMappingURL=mol-script.js.map

package/lib/commonjs/perf-tests/mol-script.js.map

@@ -1 +0,0 @@
-{"version":3,"file":"mol-script.js","sourceRoot":"","sources":["../../../src/perf-tests/mol-script.ts"],"names":[],"mappings":";;;;AAAA,0DAAkE;AAClE,iEAA6G;AAC7G,oDAAiF;AACjF,qDAAiF;AACjF,wDAAiE;AACjE,oDAAmD;AACnD,wDAA+D;AAC/D,sDAA6B;AAC7B,mEAA6E;AAC7E,oFAA8E;AAC9E,yEAA0H;AAC1H,uEAA+B;AAC/B,gEAAwE;AAExE,+DAA+D;AAC/D,uEAAuE;AACvE,uEAAuE;AAEvE,8BAA8B;AAC9B,+CAA+C;AAC/C,+DAA+D;AAC/D,IAAI;AACJ,sDAAsD;AACtD,8CAA8C;AAC9C,kBAAkB;AAClB,qDAAqD;AACrD,2BAA2B;AAC3B,qBAAqB;AAErB,8CAA8C;AAC9C,IAAM,KAAK,GAAG,IAAA,uBAAc,EAAC,mHAEE,CAAC,CAAC;AAEjC,IAAM,GAAG,GAAG,IAAA,4BAAkB,EAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;AAEzC,oDAAoD;AAEpD,OAAO,CAAC,GAAG,CAAC,IAAI,CAAC,OAAO,CAAC,GAAG,EAAE,IAAI,EAAE,EAAE,EAAE,IAAI,CAAC,CAAC,CAAC;AAE/C,OAAO,CAAC,GAAG,CAAC,sCAAe,CAAC,CAAC;AAC7B,OAAO,CAAC,GAAG,CAAC,IAAA,sCAAe,EAAC,GAAG,CAAC,CAAC,CAAC;AAClC,uBAAuB;AAEvB,IAAM,IAAI,GAAG,0BAAgB,CAAC,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;AACvD,IAAM,QAAQ,GAAG,IAAA,kBAAO,EAAS,IAAI,CAAC,CAAC;AACvC,IAAM,MAAM,GAAG,QAAQ,CAAC,IAAI,wBAAY,CAAC,qBAAS,CAAC,KAAK,CAAC,CAAC,CAAC;AAC3D,OAAO,CAAC,GAAG,CAAC,MAAM,CAAC,CAAC;AAEpB,IAAM,UAAU,GAAG,IAAA,0CAAwB,EAAC;IACxC,IAAI,EAAE,WAAW;IACjB,SAAS,EAAE,EAAE,MAAM,EAAE,EAAE,EAAE,UAAU,EAAE,EAAE,EAAE;IACzC,OAAO,EAAE;QACL,YAAY,EAAE,6BAAkB,CAAC,OAAO,CAAC,IAAA,yBAAgB,EAAC,kBAAkB,EAAE,eAAe,EAAE,WAAI,CAAC,GAAG,CAAC,EAAE,UAAA,GAAG;YACzG,IAAM,CAAC,GAAG,GAAG,CAAC,OAAO,CAAC;YACtB,4FAA4F;YAC5F,OAAO,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,mBAAmB,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;QAC7E,CAAC,CAAC;KACL;CACJ,CAAC,CAAC;AAEH,mCAAwB,CAAC,aAAa,CAAC,UAAU,CAAC,CAAC;AAEnD,mCAAwB,CAAC,aAAa,CAAC,qCAA8B,CAAC,UAAU,CAAC,CAAC;AAElF,SAAsB,KAAK;;;;;wBACT,qBAAM,IAAA,mBAAW,EAAC,gCAAgC,CAAC,EAAA;;oBAA3D,KAAK,GAAG,SAAmD;oBAC3C,qBAAM,IAAA,6BAAqB,EAAC,KAAK,CAAC,EAAA;;oBAAhD,SAAS,GAAK,CAAA,SAAkC,CAAA,UAAvC;oBACX,KAAK,GAAG,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC;oBAElB,qBAAM,IAAA,oBAAK,EAAC,sFAA+E,KAAK,CAAC,OAAO,CAAC,WAAW,EAAE,CAAE,CAAC,EAAA;;oBAAnI,OAAO,GAAG,SAAyH;oBAC5H,KAAA,CAAA,KAAA,6BAAsB,CAAA,CAAC,QAAQ,CAAA;0BAAC,KAAK;oBAAE,qBAAM,OAAO,CAAC,IAAI,EAAE,EAAA;;oBAAlE,IAAI,GAAG,wBAAuC,SAAoB,GAAC;oBAEzE,qCAA8B,CAAC,GAAG,CAAC,KAAK,EAAE,EAAE,SAAS,EAAE,EAAE,EAAE,EAAE,IAAI,CAAC,CAAC;oBAE/D,IAAI,GAAG,0BAAgB,CAAC,MAAM,CAAC,SAAS,CAAC,UAAU,CAAC;wBACpD,WAAW,EAAE,0BAAgB,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC;4BACtC,0BAAgB,CAAC,MAAM,CAAC,YAAY,CAAC,IAAI,CAAC,aAAa,EAAE;4BACzD,0BAAgB,CAAC,EAAE,CAAC,GAAG,CAAC;yBAC3B,CAAC;wBACF,iDAAiD;wBACjD,2EAA2E;wBAC3E,YAAY;wBACZ,KAAK;wBACL,cAAc,EAAE,0BAAgB,CAAC,IAAI,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,UAAU,CAAC,OAAO,CAAC,YAAY,CAAC,MAAM,EAAE,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;qBACtG,CAAC,CAAC;oBAEH,IAAI,GAAG,GAAG,CAAC;oBAEL,QAAQ,GAAG,IAAA,kBAAO,EAAiB,IAAI,CAAC,CAAC;oBACzC,MAAM,GAAG,QAAQ,CAAC,IAAI,wBAAY,CAAC,SAAS,CAAC,CAAC,CAAC;oBAErD,OAAO,CAAC,GAAG,CAAC,MAAM,CAAC,CAAC;;;;;CACvB;AA5BD,sBA4BC;AAED,KAAK,EAAE,CAAC"}

package/lib/commonjs/perf-tests/sets.d.ts

@@ -1,37 +0,0 @@
-export declare namespace Union {
-    function run(): void;
-    function runR(): void;
-}
-export declare namespace Tuples {
-    function run(): void;
-}
-export declare function testSegments(): void;
-export declare namespace ObjectVsMap {
-    function run(): void;
-}
-export declare namespace IntVsStringIndices {
-    type WithKeys<K> = {
-        keys: K[];
-        data: {
-            [key: number]: number;
-        };
-    };
-    type MapWithKeys = {
-        keys: number[];
-        map: Map<number, number>;
-    };
-    export function createInt(n: number): any;
-    export function createStr(n: number): any;
-    export function createMap(n: number): Map<number, number>;
-    export function sumInt(xs: {
-        [key: number]: number;
-    }): number;
-    export function sumStr(xs: {
-        [key: string]: number;
-    }): number;
-    export function sumMap(map: Map<number, number>): number;
-    export function sumCached(xs: WithKeys<number>): number;
-    export function sumKeyMap(xs: MapWithKeys): number;
-    export function run(): void;
-    export {};
-}