molstar 3.0.0-dev.0 → 3.0.0-dev.5

package/lib/mol-util/material.d.ts

@@ -5,28 +5,29 @@
  */
 import { NumberArray } from './type-helpers';
 import { ParamDefinition as PD } from './param-definition';
-/** Material properties expressed as a single number */
-export declare type Material = {
-    readonly '@type': 'material';
-} & number;
-export declare function Material(hex: number): Material;
+export interface Material {
+    /** Normalized to [0, 1] range */
+    metalness: number;
+    /** Normalized to [0, 1] range */
+    roughness: number;
+    /** Normalized to [0, 1] range */
+    bumpiness: number;
+}
+export declare function Material(values?: Partial<Material>): {
+    metalness: number;
+    roughness: number;
+    bumpiness: number;
+};
 export declare namespace Material {
-    function fromNormalized(metalness: number, roughness: number): Material;
-    function fromObjectNormalized(v: {
-        metalness: number;
-        roughness: number;
-    }): Material;
-    function toObjectNormalized(material: Material, fractionDigits?: number): {
-        metalness: number;
-        roughness: number;
-    };
+    const Zero: Material;
     function toArray(material: Material, array: NumberArray, offset: number): NumberArray;
-    function toString(material: Material): string;
+    function toString({ metalness, roughness, bumpiness }: Material): string;
     function getParam(info?: {
         isExpanded?: boolean;
         isFlat?: boolean;
-    }): PD.Converted<Material, PD.Normalize<{
+    }): PD.Group<PD.Normalize<{
         metalness: number;
         roughness: number;
+        bumpiness: number;
     }>>;
 }

package/lib/mol-util/material.js

@@ -3,44 +3,36 @@
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
+import { __assign } from "tslib";
 import { ParamDefinition as PD } from './param-definition';
-import { toFixed } from './number';
-export function Material(hex) { return hex; }
+export function Material(values) {
+    return __assign(__assign({}, Material.Zero), values);
+}
 (function (Material) {
-    function fromNormalized(metalness, roughness) {
-        return (((metalness * 255) << 16) | ((roughness * 255) << 8));
-    }
-    Material.fromNormalized = fromNormalized;
-    function fromObjectNormalized(v) {
-        return fromNormalized(v.metalness, v.roughness);
-    }
-    Material.fromObjectNormalized = fromObjectNormalized;
-    function toObjectNormalized(material, fractionDigits) {
-        var metalness = (material >> 16 & 255) / 255;
-        var roughness = (material >> 8 & 255) / 255;
-        return {
-            metalness: fractionDigits ? toFixed(metalness, fractionDigits) : metalness,
-            roughness: fractionDigits ? toFixed(roughness, fractionDigits) : roughness
-        };
-    }
-    Material.toObjectNormalized = toObjectNormalized;
+    Material.Zero = { metalness: 0, roughness: 0, bumpiness: 0 };
     function toArray(material, array, offset) {
-        array[offset] = (material >> 16 & 255);
-        array[offset + 1] = (material >> 8 & 255);
+        array[offset] = material.metalness * 255;
+        array[offset + 1] = material.roughness * 255;
+        array[offset + 2] = material.bumpiness * 255;
         return array;
     }
     Material.toArray = toArray;
-    function toString(material) {
-        var metalness = (material >> 16 & 255) / 255;
-        var roughness = (material >> 8 & 255) / 255;
-        return "M ".concat(metalness, " | R ").concat(roughness);
+    function toString(_a) {
+        var metalness = _a.metalness, roughness = _a.roughness, bumpiness = _a.bumpiness;
+        return "M ".concat(metalness.toFixed(2), " | R ").concat(roughness.toFixed(2), " | B ").concat(bumpiness.toFixed(2));
     }
     Material.toString = toString;
     function getParam(info) {
-        return PD.Converted(function (v) { return toObjectNormalized(v, 2); }, function (v) { return fromObjectNormalized(v); }, PD.Group({
+        return PD.Group({
             metalness: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }),
             roughness: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
-        }, info));
+            bumpiness: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }),
+        }, __assign(__assign({}, info), { presets: [
+                [{ metalness: 0, roughness: 1, bumpiness: 0 }, 'Matte'],
+                [{ metalness: 0, roughness: 0.2, bumpiness: 0 }, 'Plastic'],
+                [{ metalness: 0, roughness: 0.6, bumpiness: 0 }, 'Glossy'],
+                [{ metalness: 1.0, roughness: 0.6, bumpiness: 0 }, 'Metallic'],
+            ] }));
     }
     Material.getParam = getParam;
 })(Material || (Material = {}));

package/lib/mol-util/param-definition.d.ts

@@ -165,6 +165,7 @@ export declare namespace ParamDefinition {
     export interface Group<T> extends Base<T> {
         type: 'group';
         params: Params;
+        presets?: Select<T>['options'];
         isExpanded?: boolean;
         isFlat?: boolean;
         pivot?: keyof T;
@@ -174,6 +175,7 @@ export declare namespace ParamDefinition {
         isFlat?: boolean;
         customDefault?: any;
         pivot?: keyof T;
+        presets?: Select<T>['options'];
     }): Group<Normalize<T>>;
     export function EmptyGroup(info?: Info): Group<Normalize<unknown>>;
     export interface NamedParams<T = any, K = string> {

package/lib/mol-util/param-definition.js

@@ -147,6 +147,8 @@ export var ParamDefinition;
     ParamDefinition.LineGraph = LineGraph;
     function Group(params, info) {
         var ret = setInfo({ type: 'group', defaultValue: (info === null || info === void 0 ? void 0 : info.customDefault) || getDefaultValues(params), params: params }, info);
+        if (info === null || info === void 0 ? void 0 : info.presets)
+            ret.presets = info.presets;
         if (info === null || info === void 0 ? void 0 : info.isExpanded)
             ret.isExpanded = info.isExpanded;
         if (info === null || info === void 0 ? void 0 : info.isFlat)

package/package.json

@@ -1,158 +1,162 @@
-{
-  "name": "molstar",
-  "version": "3.0.0-dev.0",
-  "description": "A comprehensive macromolecular library.",
-  "homepage": "https://github.com/molstar/molstar#readme",
-  "repository": {
-    "type": "git",
-    "url": "https://github.com/molstar/molstar.git"
-  },
-  "bugs": {
-    "url": "https://github.com/molstar/molstar/issues"
-  },
-  "scripts": {
-    "lint": "eslint .",
-    "lint-fix": "eslint . --fix",
-    "test": "npm run lint && jest",
-    "jest": "jest",
-    "build": "npm run build-tsc && npm run build-extra && npm run build-webpack",
-    "build-viewer": "npm run build-tsc && npm run build-extra && npm run build-webpack-viewer",
-    "build-tsc": "concurrently \"tsc --incremental\" \"tsc --build tsconfig.commonjs.json --incremental\"",
-    "build-extra": "cpx \"src/**/*.{scss,html,ico}\" lib/",
-    "build-webpack": "webpack --mode production --config ./webpack.config.production.js",
-    "build-webpack-viewer": "webpack --mode production --config ./webpack.config.viewer.js",
-    "watch": "concurrently -c \"green,green,gray,gray\" --names \"tsc,srv,ext,wpc\" --kill-others \"npm:watch-tsc\" \"npm:watch-servers\" \"npm:watch-extra\" \"npm:watch-webpack\"",
-    "watch-viewer": "concurrently -c \"green,gray,gray\" --names \"tsc,ext,wpc\" --kill-others \"npm:watch-tsc\" \"npm:watch-extra\" \"npm:watch-webpack-viewer\"",
-    "watch-viewer-debug": "concurrently -c \"green,gray,gray\" --names \"tsc,ext,wpc\" --kill-others \"npm:watch-tsc\" \"npm:watch-extra\" \"npm:watch-webpack-viewer-debug\"",
-    "watch-tsc": "tsc --watch --incremental",
-    "watch-servers": "tsc --build tsconfig.commonjs.json --watch --incremental",
-    "watch-extra": "cpx \"src/**/*.{scss,html,ico}\" lib/ --watch",
-    "watch-webpack": "webpack -w --mode development --stats minimal",
-    "watch-webpack-viewer": "webpack -w --mode development --stats minimal --config ./webpack.config.viewer.js",
-    "watch-webpack-viewer-debug": "webpack -w --mode development --stats minimal --config ./webpack.config.viewer.debug.js",
-    "serve": "http-server -p 1338 -g",
-    "model-server": "node lib/commonjs/servers/model/server.js",
-    "model-server-watch": "nodemon --watch lib lib/commonjs/servers/model/server.js",
-    "volume-server-test": "node lib/commonjs/servers/volume/server.js --idMap em 'test/${id}.mdb' --defaultPort 1336",
-    "plugin-state": "node lib/commonjs/servers/plugin-state/index.js --working-folder ./build/state --port 1339",
-    "preversion": "npm run test",
-    "version": "npm run build",
-    "postversion": "git push && git push --tags"
-  },
-  "files": [
-    "lib/",
-    "build/viewer/"
-  ],
-  "bin": {
-    "cif2bcif": "lib/commonjs/cli/cif2bcif/index.js",
-    "cifschema": "lib/commonjs/cli/cifschema/index.js",
-    "model-server": "lib/commonjs/servers/model/server.js",
-    "model-server-query": "lib/commonjs/servers/model/query.js",
-    "model-server-preprocess": "lib/commonjs/servers/model/preprocess.js",
-    "volume-server": "lib/commonjs/servers/volume/server.js",
-    "volume-server-query": "lib/commonjs/servers/volume/query.js",
-    "volume-server-pack": "lib/commonjs/servers/volume/pack.js"
-  },
-  "nodemonConfig": {
-    "ignoreRoot": [
-      "./node_modules",
-      ".git"
-    ],
-    "ignore": [],
-    "delay": "2500"
-  },
-  "jest": {
-    "moduleFileExtensions": [
-      "ts",
-      "js"
-    ],
-    "transform": {
-      "\\.ts$": "ts-jest"
-    },
-    "moduleDirectories": [
-      "node_modules",
-      "lib"
-    ],
-    "testURL": "http://localhost/",
-    "testRegex": "\\.spec\\.ts$"
-  },
-  "author": "Mol* Contributors",
-  "contributors": [
-    "Alexander Rose <alexander.rose@weirdbyte.de>",
-    "David Sehnal <david.sehnal@gmail.com>",
-    "Sebastian Bittrich <sebastian.bittrich@rcsb.org>",
-    "Áron Samuel Kovács <aron.kovacs@mail.muni.cz>",
-    "Ludovic Autin <autin@scripps.edu>",
-    "Michal Malý <michal.maly@ibt.cas.cz>",
-    "Jiří Černý <jiri.cerny@ibt.cas.cz>"
-  ],
-  "license": "MIT",
-  "devDependencies": {
-    "@graphql-codegen/add": "^3.1.0",
-    "@graphql-codegen/cli": "^2.3.0",
-    "@graphql-codegen/time": "^3.1.0",
-    "@graphql-codegen/typescript": "^2.4.1",
-    "@graphql-codegen/typescript-graphql-files-modules": "^2.1.0",
-    "@graphql-codegen/typescript-graphql-request": "^4.3.1",
-    "@graphql-codegen/typescript-operations": "^2.2.1",
-    "@types/cors": "^2.8.12",
-    "@types/gl": "^4.1.0",
-    "@types/jest": "^27.0.3",
-    "@typescript-eslint/eslint-plugin": "^5.4.0",
-    "@typescript-eslint/parser": "^5.4.0",
-    "benchmark": "^2.1.4",
-    "concurrently": "^6.4.0",
-    "cpx2": "^4.0.0",
-    "crypto-browserify": "^3.12.0",
-    "css-loader": "^6.5.1",
-    "eslint": "^8.3.0",
-    "extra-watch-webpack-plugin": "^1.0.3",
-    "file-loader": "^6.2.0",
-    "fs-extra": "^10.0.0",
-    "graphql": "^15.7.2",
-    "http-server": "^14.0.0",
-    "jest": "^27.3.1",
-    "mini-css-extract-plugin": "^2.4.5",
-    "path-browserify": "^1.0.1",
-    "raw-loader": "^4.0.2",
-    "sass": "^1.43.5",
-    "sass-loader": "^12.3.0",
-    "simple-git": "^2.47.0",
-    "stream-browserify": "^3.0.0",
-    "style-loader": "^3.3.1",
-    "ts-jest": "^27.0.7",
-    "typescript": "^4.5.2",
-    "webpack": "^5.64.4",
-    "webpack-cli": "^4.9.1"
-  },
-  "dependencies": {
-    "@types/argparse": "^2.0.10",
-    "@types/benchmark": "^2.1.1",
-    "@types/compression": "1.7.2",
-    "@types/express": "^4.17.13",
-    "@types/node": "^16.11.10",
-    "@types/node-fetch": "^2.5.12",
-    "@types/react": "^17.0.37",
-    "@types/react-dom": "^17.0.11",
-    "@types/swagger-ui-dist": "3.30.1",
-    "argparse": "^2.0.1",
-    "body-parser": "^1.19.0",
-    "compression": "^1.7.4",
-    "cors": "^2.8.5",
-    "express": "^4.17.1",
-    "h264-mp4-encoder": "^1.0.12",
-    "immer": "^9.0.7",
-    "immutable": "^3.8.2",
-    "node-fetch": "^2.6.2",
-    "react": "^17.0.2",
-    "react-dom": "^17.0.2",
-    "rxjs": "^7.4.0",
-    "swagger-ui-dist": "^4.1.1",
-    "tslib": "^2.3.1",
-    "util.promisify": "^1.1.1",
-    "xhr2": "^0.2.1"
-  },
-  "optionalDependencies": {
-    "gl": "^4.9.2"
-  }
-}
+{
+  "name": "molstar",
+  "version": "3.0.0-dev.5",
+  "description": "A comprehensive macromolecular library.",
+  "homepage": "https://github.com/molstar/molstar#readme",
+  "repository": {
+    "type": "git",
+    "url": "https://github.com/molstar/molstar.git"
+  },
+  "bugs": {
+    "url": "https://github.com/molstar/molstar/issues"
+  },
+  "scripts": {
+    "lint": "eslint .",
+    "lint-fix": "eslint . --fix",
+    "test": "npm run lint && jest",
+    "jest": "jest",
+    "build": "npm run build-tsc && npm run build-extra && npm run build-webpack",
+    "clean": "node ./scripts/clean.js",
+    "rebuild": "npm run clean && npm run build",
+    "build-viewer": "npm run build-tsc && npm run build-extra && npm run build-webpack-viewer",
+    "build-tsc": "concurrently \"tsc --incremental\" \"tsc --build tsconfig.commonjs.json --incremental\"",
+    "build-extra": "cpx \"src/**/*.{scss,html,ico}\" lib/",
+    "build-webpack": "webpack --mode production --config ./webpack.config.production.js",
+    "build-webpack-viewer": "webpack --mode production --config ./webpack.config.viewer.js",
+    "watch": "concurrently -c \"green,green,gray,gray\" --names \"tsc,srv,ext,wpc\" --kill-others \"npm:watch-tsc\" \"npm:watch-servers\" \"npm:watch-extra\" \"npm:watch-webpack\"",
+    "watch-viewer": "concurrently -c \"green,gray,gray\" --names \"tsc,ext,wpc\" --kill-others \"npm:watch-tsc\" \"npm:watch-extra\" \"npm:watch-webpack-viewer\"",
+    "watch-viewer-debug": "concurrently -c \"green,gray,gray\" --names \"tsc,ext,wpc\" --kill-others \"npm:watch-tsc\" \"npm:watch-extra\" \"npm:watch-webpack-viewer-debug\"",
+    "watch-tsc": "tsc --watch --incremental",
+    "watch-servers": "tsc --build tsconfig.commonjs.json --watch --incremental",
+    "watch-extra": "cpx \"src/**/*.{scss,html,ico}\" lib/ --watch",
+    "watch-webpack": "webpack -w --mode development --stats minimal",
+    "watch-webpack-viewer": "webpack -w --mode development --stats minimal --config ./webpack.config.viewer.js",
+    "watch-webpack-viewer-debug": "webpack -w --mode development --stats minimal --config ./webpack.config.viewer.debug.js",
+    "serve": "http-server -p 1338 -g",
+    "model-server": "node lib/commonjs/servers/model/server.js",
+    "model-server-watch": "nodemon --watch lib lib/commonjs/servers/model/server.js",
+    "volume-server-test": "node lib/commonjs/servers/volume/server.js --idMap em 'test/${id}.mdb' --defaultPort 1336",
+    "plugin-state": "node lib/commonjs/servers/plugin-state/index.js --working-folder ./build/state --port 1339",
+    "preversion": "npm run test",
+    "version": "npm run rebuild && cpx .npmignore lib/",
+    "postversion": "git push && git push --tags"
+  },
+  "files": [
+    "lib/",
+    "build/viewer/"
+  ],
+  "bin": {
+    "cif2bcif": "lib/commonjs/cli/cif2bcif/index.js",
+    "cifschema": "lib/commonjs/cli/cifschema/index.js",
+    "model-server": "lib/commonjs/servers/model/server.js",
+    "model-server-query": "lib/commonjs/servers/model/query.js",
+    "model-server-preprocess": "lib/commonjs/servers/model/preprocess.js",
+    "volume-server": "lib/commonjs/servers/volume/server.js",
+    "volume-server-query": "lib/commonjs/servers/volume/query.js",
+    "volume-server-pack": "lib/commonjs/servers/volume/pack.js"
+  },
+  "nodemonConfig": {
+    "ignoreRoot": [
+      "./node_modules",
+      ".git"
+    ],
+    "ignore": [],
+    "delay": "2500"
+  },
+  "jest": {
+    "moduleFileExtensions": [
+      "ts",
+      "js"
+    ],
+    "transform": {
+      "\\.ts$": "ts-jest"
+    },
+    "moduleDirectories": [
+      "node_modules",
+      "lib"
+    ],
+    "testURL": "http://localhost/",
+    "testRegex": "\\.spec\\.ts$"
+  },
+  "author": "Mol* Contributors",
+  "contributors": [
+    "Alexander Rose <alexander.rose@weirdbyte.de>",
+    "David Sehnal <david.sehnal@gmail.com>",
+    "Sebastian Bittrich <sebastian.bittrich@rcsb.org>",
+    "Áron Samuel Kovács <aron.kovacs@mail.muni.cz>",
+    "Ludovic Autin <autin@scripps.edu>",
+    "Michal Malý <michal.maly@ibt.cas.cz>",
+    "Jiří Černý <jiri.cerny@ibt.cas.cz>"
+  ],
+  "license": "MIT",
+  "devDependencies": {
+    "@graphql-codegen/add": "^3.1.0",
+    "@graphql-codegen/cli": "^2.3.0",
+    "@graphql-codegen/time": "^3.1.0",
+    "@graphql-codegen/typescript": "^2.4.1",
+    "@graphql-codegen/typescript-graphql-files-modules": "^2.1.0",
+    "@graphql-codegen/typescript-graphql-request": "^4.3.1",
+    "@graphql-codegen/typescript-operations": "^2.2.1",
+    "@types/cors": "^2.8.12",
+    "@types/gl": "^4.1.0",
+    "@types/jest": "^27.0.3",
+    "@typescript-eslint/eslint-plugin": "^5.5.0",
+    "@typescript-eslint/parser": "^5.5.0",
+    "benchmark": "^2.1.4",
+    "concurrently": "^6.4.0",
+    "cpx2": "^4.0.0",
+    "crypto-browserify": "^3.12.0",
+    "css-loader": "^6.5.1",
+    "eslint": "^8.3.0",
+    "extra-watch-webpack-plugin": "^1.0.3",
+    "file-loader": "^6.2.0",
+    "fs-extra": "^10.0.0",
+    "graphql": "^15.7.2",
+    "http-server": "^14.0.0",
+    "jest": "^27.3.1",
+    "mini-css-extract-plugin": "^2.4.5",
+    "path-browserify": "^1.0.1",
+    "raw-loader": "^4.0.2",
+    "sass": "^1.43.5",
+    "sass-loader": "^12.3.0",
+    "simple-git": "^2.47.0",
+    "stream-browserify": "^3.0.0",
+    "style-loader": "^3.3.1",
+    "ts-jest": "^27.0.7",
+    "typescript": "^4.5.2",
+    "webpack": "^5.64.4",
+    "webpack-cli": "^4.9.1"
+  },
+  "dependencies": {
+    "@types/argparse": "^2.0.10",
+    "@types/benchmark": "^2.1.1",
+    "@types/compression": "1.7.2",
+    "@types/express": "^4.17.13",
+    "@types/node": "^16.11.10",
+    "@types/node-fetch": "^2.5.12",
+    "@types/react": "^17.0.37",
+    "@types/react-dom": "^17.0.11",
+    "@types/swagger-ui-dist": "3.30.1",
+    "argparse": "^2.0.1",
+    "body-parser": "^1.19.0",
+    "compression": "^1.7.4",
+    "cors": "^2.8.5",
+    "express": "^4.17.1",
+    "h264-mp4-encoder": "^1.0.12",
+    "immer": "^9.0.7",
+    "immutable": "^3.8.2",
+    "node-fetch": "^2.6.2",
+    "rxjs": "^7.4.0",
+    "swagger-ui-dist": "^4.1.1",
+    "tslib": "^2.3.1",
+    "util.promisify": "^1.1.1",
+    "xhr2": "^0.2.1"
+  },
+  "peerDependencies": {
+    "react": "^17.0.2",
+    "react-dom": "^17.0.2"
+  },
+  "optionalDependencies": {
+    "gl": "^4.9.2"
+  }
+}

package/lib/apps/docking-viewer/index.js.map

@@ -1 +0,0 @@
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package/lib/apps/docking-viewer/viewport.js.map

@@ -1 +0,0 @@
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package/lib/apps/viewer/index.js.map

@@ -1 +0,0 @@
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package/lib/cli/chem-comp-dict/create-ions.js.map

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package/lib/cli/chem-comp-dict/create-table.js.map

@@ -1 +0,0 @@
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package/lib/cli/chem-comp-dict/util.js.map

@@ -1 +0,0 @@
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