@chemistry/math 2.7.0 → 3.0.1

package/dist/vec2.js

@@ -0,0 +1,59 @@
+import { EPSILON } from '@chemistry/common';
+export class Vec2 {
+    static add(v1, v2) {
+        return new Vec2(v1.x + v2.x, v1.y + v2.y);
+    }
+    static sub(v1, v2) {
+        return new Vec2(v1.x - v2.x, v1.y - v2.y);
+    }
+    static dot(v1, v2) {
+        return v1.x * v2.x + v1.y * v2.y;
+    }
+    static equals(v1, v2) {
+        return Math.abs(v1.x - v2.x) < EPSILON && Math.abs(v1.y - v2.y) < EPSILON;
+    }
+    constructor(x, y) {
+        this.x = x;
+        this.y = y;
+    }
+    get length() {
+        return Math.sqrt(this.x * this.x + this.y * this.y);
+    }
+    get lengthPow2() {
+        return this.x * this.x + this.y * this.y;
+    }
+    get avg() {
+        return (this.x + this.y) / 2;
+    }
+    scale(num) {
+        return new Vec2(this.x * num, this.y * num);
+    }
+    normalize() {
+        const len = this.length;
+        if (len === 0) {
+            throw new Error('Can not normalize zero vector');
+        }
+        else {
+            return new Vec2(this.x / len, this.y / len);
+        }
+    }
+    dot(vec) {
+        return Vec2.dot(this, vec);
+    }
+    sub(vec) {
+        return Vec2.sub(this, vec);
+    }
+    add(vector) {
+        return Vec2.add(this, vector);
+    }
+    equals(vec) {
+        return Vec2.equals(this, vec);
+    }
+    clone() {
+        return new Vec2(this.x, this.y);
+    }
+    toString() {
+        return '(' + this.x.toFixed(3) + ',' + this.y.toFixed(3) + ')';
+    }
+}
+//# sourceMappingURL=vec2.js.map

package/dist/vec2.js.map

@@ -0,0 +1 @@
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package/dist/vec3.d.ts

@@ -1,29 +1,30 @@
-import { ICloneable, IEquatable } from "@chemistry/common";
-export interface IVec3 {
-    x: number;
-    y: number;
-    z: number;
-}
-export declare class Vec3 implements IVec3, ICloneable<Vec3>, IEquatable<Vec3> {
-    static add(v1: Vec3, v2: Vec3): Vec3;
-    static sub(v1: Vec3, v2: Vec3): Vec3;
-    static dot(v1: Vec3, v2: Vec3): number;
-    static cross(v1: Vec3, v2: Vec3): Vec3;
-    static equals(v1: Vec3, v2: Vec3): boolean;
-    static getDecimal(v1: Vec3): Vec3;
-    x: number;
-    y: number;
-    z: number;
-    constructor(x: number, y: number, z: number);
-    readonly length: number;
-    readonly lengthPow2: number;
-    readonly avg: number;
-    scale(num: number): Vec3;
-    normalize(): Vec3;
-    dot(vec: Vec3): number;
-    sub(vec: Vec3): Vec3;
-    add(vector: Vec3): Vec3;
-    equals(vec: Vec3): boolean;
-    clone(): Vec3;
-    toString(): string;
-}
+import { ICloneable, IEquatable } from '@chemistry/common';
+export interface IVec3 {
+    x: number;
+    y: number;
+    z: number;
+}
+export declare class Vec3 implements IVec3, ICloneable<Vec3>, IEquatable<Vec3> {
+    static add(v1: Vec3, v2: Vec3): Vec3;
+    static sub(v1: Vec3, v2: Vec3): Vec3;
+    static dot(v1: Vec3, v2: Vec3): number;
+    static cross(v1: Vec3, v2: Vec3): Vec3;
+    static equals(v1: Vec3, v2: Vec3): boolean;
+    static getDecimal(v1: Vec3): Vec3;
+    x: number;
+    y: number;
+    z: number;
+    constructor(x: number, y: number, z: number);
+    get length(): number;
+    get lengthPow2(): number;
+    get avg(): number;
+    scale(num: number): Vec3;
+    normalize(): Vec3;
+    dot(vec: Vec3): number;
+    sub(vec: Vec3): Vec3;
+    add(vector: Vec3): Vec3;
+    equals(vec: Vec3): boolean;
+    clone(): Vec3;
+    toString(): string;
+}
+//# sourceMappingURL=vec3.d.ts.map

package/dist/vec3.d.ts.map

@@ -0,0 +1 @@
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package/dist/vec3.js

@@ -0,0 +1,71 @@
+import { EPSILON } from '@chemistry/common';
+export class Vec3 {
+    static add(v1, v2) {
+        return new Vec3(v1.x + v2.x, v1.y + v2.y, v1.z + v2.z);
+    }
+    static sub(v1, v2) {
+        return new Vec3(v1.x - v2.x, v1.y - v2.y, v1.z - v2.z);
+    }
+    static dot(v1, v2) {
+        return v1.x * v2.x + v1.y * v2.y + v1.z * v2.z;
+    }
+    static cross(v1, v2) {
+        return new Vec3(v1.y * v2.z - v1.z * v2.y, v1.z * v2.x - v1.x * v2.z, v1.x * v2.y - v1.y * v2.x);
+    }
+    static equals(v1, v2) {
+        return (Math.abs(v1.x - v2.x) < EPSILON &&
+            Math.abs(v1.y - v2.y) < EPSILON &&
+            Math.abs(v1.z - v2.z) < EPSILON);
+    }
+    static getDecimal(v1) {
+        const x = v1.x - Math.floor(v1.x);
+        const y = v1.y - Math.floor(v1.y);
+        const z = v1.z - Math.floor(v1.z);
+        return new Vec3(x, y, z);
+    }
+    constructor(x, y, z) {
+        this.x = x;
+        this.y = y;
+        this.z = z;
+    }
+    get length() {
+        return Math.sqrt(this.x * this.x + this.y * this.y + this.z * this.z);
+    }
+    get lengthPow2() {
+        return this.x * this.x + this.y * this.y + this.z * this.z;
+    }
+    get avg() {
+        return (this.x + this.y + this.z) / 3;
+    }
+    scale(num) {
+        return new Vec3(this.x * num, this.y * num, this.z * num);
+    }
+    normalize() {
+        const len = this.length;
+        if (len === 0) {
+            throw new Error('Can not normalize zero vector');
+        }
+        else {
+            return new Vec3(this.x / len, this.y / len, this.z / len);
+        }
+    }
+    dot(vec) {
+        return Vec3.dot(this, vec);
+    }
+    sub(vec) {
+        return Vec3.sub(this, vec);
+    }
+    add(vector) {
+        return Vec3.add(this, vector);
+    }
+    equals(vec) {
+        return Vec3.equals(this, vec);
+    }
+    clone() {
+        return new Vec3(this.x, this.y, this.z);
+    }
+    toString() {
+        return '(' + this.x.toFixed(3) + ',' + this.y.toFixed(3) + ',' + this.z.toFixed(3) + ')';
+    }
+}
+//# sourceMappingURL=vec3.js.map

package/dist/vec3.js.map

@@ -0,0 +1 @@
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package/package.json

@@ -1,39 +1,50 @@
 {
-    "name": "@chemistry/math",
-    "version": "2.7.0",
-    "description": "Math support for @chemistry project",
-    "author": {
-        "name": "Volodymyr Vreshch",
-        "url": "http://vreshch.com/"
-    },
-    "license": "MIT",
-    "keywords": [
-        "cheminformatics",
-        "crystallography",
-        "math"
-    ],
-    "engines": {
-        "node": ">=6.0.0"
-    },
-    "repository": "https://github.com/chemistry/chem-js-lib/tree/master/packages/math",
-    "publishConfig": {
-        "registry": "https://registry.npmjs.org/",
-        "access": "public"
-    },
-    "private": false,
-    "files": [
-        "package-lock.json",
-        "package.json",
-        "dist",
-        "README.md"
-    ],
-    "main": "dist/math.js",
-    "typings": "dist/index.d.ts",
-    "scripts": {
-        "build": "webpack-cli --config webpack.config.js --mode production"
-    },
-    "dependencies": {
-        "@chemistry/common": "^2.7.0"
-    },
-    "gitHead": "58b10639212f9973109134f9d98edac2cfa97da2"
+  "name": "@chemistry/math",
+  "version": "3.0.1",
+  "description": "Math support for @chemistry project",
+  "type": "module",
+  "author": {
+    "name": "Volodymyr Vreshch",
+    "url": "https://vreshch.com/"
+  },
+  "license": "MIT",
+  "keywords": [
+    "cheminformatics",
+    "crystallography",
+    "math"
+  ],
+  "engines": {
+    "node": ">=20.0.0"
+  },
+  "repository": {
+    "type": "git",
+    "url": "https://github.com/chemistry/chemical-libraries.git",
+    "directory": "packages/math"
+  },
+  "publishConfig": {
+    "registry": "https://registry.npmjs.org/",
+    "access": "public"
+  },
+  "private": false,
+  "sideEffects": false,
+  "files": [
+    "package.json",
+    "dist",
+    "README.md"
+  ],
+  "main": "./dist/index.js",
+  "types": "./dist/index.d.ts",
+  "exports": {
+    ".": {
+      "types": "./dist/index.d.ts",
+      "import": "./dist/index.js"
+    }
+  },
+  "scripts": {
+    "build": "tsc",
+    "type-check": "tsc --noEmit"
+  },
+  "dependencies": {
+    "@chemistry/common": "^3.0.0"
+  }
 }

package/LICENSE.md

@@ -1,22 +0,0 @@
-MIT License
-
-Copyright (c) 2018 Volodymyr Vreshch
-
-Permission is hereby granted, free of charge, to any person obtaining
-a copy of this software and associated documentation files (the
-"Software"), to deal in the Software without restriction, including
-without limitation the rights to use, copy, modify, merge, publish,
-distribute, sublicense, and/or sell copies of the Software, and to
-permit persons to whom the Software is furnished to do so, subject to
-the following conditions:
-
-The above copyright notice and this permission notice shall be
-included in all copies or substantial portions of the Software.
-
-THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
-EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
-MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
-NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE
-LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION
-OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION
-WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

package/dist/math.js

@@ -1,2 +0,0 @@
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module; };\n \t\t__webpack_require__.d(getter, 'a', getter);\n \t\treturn getter;\n \t};\n\n \t// Object.prototype.hasOwnProperty.call\n \t__webpack_require__.o = function(object, property) { return Object.prototype.hasOwnProperty.call(object, property); };\n\n \t// __webpack_public_path__\n \t__webpack_require__.p = \"\";\n\n\n \t// Load entry module and return exports\n \treturn __webpack_require__(__webpack_require__.s = 2);\n","!function(e,t){\"object\"==typeof exports&&\"object\"==typeof module?module.exports=t():\"function\"==typeof define&&define.amd?define(\"common\",[],t):\"object\"==typeof exports?exports.common=t():e.common=t()}(\"undefined\"!=typeof self?self:this,function(){return function(e){var t={};function n(o){if(t[o])return t[o].exports;var r=t[o]={i:o,l:!1,exports:{}};return e[o].call(r.exports,r,r.exports,n),r.l=!0,r.exports}return n.m=e,n.c=t,n.d=function(e,t,o){n.o(e,t)||Object.defineProperty(e,t,{enumerable:!0,get:o})},n.r=function(e){\"undefined\"!=typeof Symbol&&Symbol.toStringTag&&Object.defineProperty(e,Symbol.toStringTag,{value:\"Module\"}),Object.defineProperty(e,\"__esModule\",{value:!0})},n.t=function(e,t){if(1&t&&(e=n(e)),8&t)return e;if(4&t&&\"object\"==typeof e&&e&&e.__esModule)return e;var o=Object.create(null);if(n.r(o),Object.defineProperty(o,\"default\",{enumerable:!0,value:e}),2&t&&\"string\"!=typeof e)for(var r in e)n.d(o,r,function(t){return e[t]}.bind(null,r));return o},n.n=function(e){var t=e&&e.__esModule?function(){return e.default}:function(){return e};return n.d(t,\"a\",t),t},n.o=function(e,t){return Object.prototype.hasOwnProperty.call(e,t)},n.p=\"\",n(n.s=0)}([function(e,t,n){\"use strict\";Object.defineProperty(t,\"__esModule\",{value:!0}),function(e){for(var n in e)t.hasOwnProperty(n)||(t[n]=e[n])}(n(1))},function(e,t,n){\"use strict\";Object.defineProperty(t,\"__esModule\",{value:!0}),t.EPSILON=1e-8}])});\n//# sourceMappingURL=common.js.map","import { EPSILON,  ICloneable, IEquatable } from \"@chemistry/common\";\r\n\r\nexport interface IVec3 {\r\n    x: number;\r\n    y: number;\r\n    z: number;\r\n}\r\n\r\nexport class Vec3 implements IVec3, ICloneable<Vec3>, IEquatable<Vec3> {\r\n\r\n    public static add(v1: Vec3, v2: Vec3): Vec3 {\r\n        return new Vec3(v1.x + v2.x, v1.y + v2.y, v1.z + v2.z);\r\n    }\r\n\r\n    public static sub(v1: Vec3, v2: Vec3): Vec3 {\r\n        return new Vec3(v1.x - v2.x, v1.y - v2.y, v1.z - v2.z);\r\n    }\r\n\r\n    public static dot(v1: Vec3, v2: Vec3): number {\r\n        return (v1.x * v2.x +  v1.y * v2.y + v1.z * v2.z);\r\n    }\r\n\r\n    public static cross(v1: Vec3, v2: Vec3): Vec3 {\r\n        return new Vec3(v1.y * v2.z - v1.z * v2.y, v1.z * v2.x - v1.x * v2.z, v1.x * v2.y - v1.y * v2.x);\r\n    }\r\n\r\n    public static equals(v1: Vec3, v2: Vec3): boolean {\r\n        return (Math.abs(v1.x - v2.x) < EPSILON)\r\n            && (Math.abs(v1.y - v2.y) < EPSILON)\r\n            && (Math.abs(v1.z - v2.z) < EPSILON);\r\n    }\r\n\r\n    public static getDecimal(v1: Vec3): Vec3 {\r\n        const x: number = v1.x - Math.floor(v1.x);\r\n        const y: number = v1.y - Math.floor(v1.y);\r\n        const z: number = v1.z - Math.floor(v1.z);\r\n        return new Vec3(x, y, z);\r\n    }\r\n\r\n    public x: number;\r\n    public y: number;\r\n    public z: number;\r\n\r\n    constructor(x: number, y: number, z: number) {\r\n        this.x = x;\r\n        this.y = y;\r\n        this.z = z;\r\n    }\r\n\r\n    public get length(): number {\r\n        return Math.sqrt(this.x * this.x + this.y * this.y + this.z * this.z);\r\n    }\r\n\r\n    public get lengthPow2(): number {\r\n        return (this.x * this.x + this.y * this.y + this.z * this.z);\r\n    }\r\n\r\n    public get avg(): number {\r\n        return (this.x + this.y + this.z) / 3;\r\n    }\r\n\r\n    public scale(num: number): Vec3 {\r\n        return new Vec3(this.x * num, this.y * num, this.z * num);\r\n    }\r\n\r\n    public normalize() {\r\n        const len = this.length;\r\n        if (len === 0) {\r\n            throw new Error(\"Can not normalize zero vector\");\r\n        } else {\r\n            return new Vec3(this.x / len, this.y / len, this.z / len);\r\n        }\r\n    }\r\n\r\n    public dot(vec: Vec3): number {\r\n        return Vec3.dot(this, vec);\r\n    }\r\n\r\n    public sub(vec: Vec3): Vec3 {\r\n        return Vec3.sub(this, vec);\r\n    }\r\n\r\n    public add(vector: Vec3): Vec3 {\r\n        return Vec3.add(this, vector);\r\n    }\r\n\r\n    public equals(vec: Vec3) {\r\n        return Vec3.equals(this, vec);\r\n    }\r\n\r\n    public clone() {\r\n        return new Vec3(this.x, this.y, this.z);\r\n    }\r\n\r\n    public toString() {\r\n        return \"(\" + this.x.toFixed(3) + \",\" + this.y.toFixed(3) + \",\" + this.z.toFixed(3) + \")\";\r\n    }\r\n}\r\n","export * from \"./matrix3x3\";\r\nexport * from \"./matrix3x4\";\r\nexport * from \"./transform3d\";\r\nexport * from \"./vec3\";\r\nexport * from \"./vec2\";\r\n","import { EPSILON,  ICloneable, IEquatable } from \"@chemistry/common\";\r\nimport { Vec3 } from \"./vec3\";\r\n\r\nexport class Matrix3x3 implements ICloneable<Matrix3x3>, IEquatable<Matrix3x3> {\r\n\r\n    public static equals(m1: Matrix3x3, m2: Matrix3x3): boolean {\r\n        return (Math.abs(m1.elements[0] - m2.elements[0]) < EPSILON)\r\n            && (Math.abs(m1.elements[1] - m2.elements[1]) < EPSILON)\r\n            && (Math.abs(m1.elements[2] - m2.elements[2]) < EPSILON)\r\n            && (Math.abs(m1.elements[3] - m2.elements[3]) < EPSILON)\r\n            && (Math.abs(m1.elements[4] - m2.elements[4]) < EPSILON)\r\n            && (Math.abs(m1.elements[5] - m2.elements[5]) < EPSILON)\r\n            && (Math.abs(m1.elements[6] - m2.elements[6]) < EPSILON)\r\n            && (Math.abs(m1.elements[7] - m2.elements[7]) < EPSILON)\r\n            && (Math.abs(m1.elements[8] - m2.elements[8]) < EPSILON);\r\n    }\r\n\r\n    public static inverse(matrix: Matrix3x3): Matrix3x3 {\r\n\r\n        const d = matrix.determinant();\r\n        if (d === 0) {\r\n            throw new Error(\"Matrix not invertable\");\r\n        }\r\n\r\n        return new Matrix3x3([\r\n            (matrix.get(1, 1)  * matrix.get(2, 2) - matrix.get(1, 2) * matrix.get(2, 1)) / d,\r\n            (-matrix.get(0, 1) * matrix.get(2, 2) + matrix.get(0, 2) * matrix.get(2, 1)) / d,\r\n            (matrix.get(0, 1)  * matrix.get(1, 2) - matrix.get(0, 2) * matrix.get(1, 1)) / d,\r\n            (-matrix.get(1, 0) * matrix.get(2, 2) + matrix.get(1, 2) * matrix.get(2, 0)) / d,\r\n            (matrix.get(0, 0)  * matrix.get(2, 2) - matrix.get(0, 2) * matrix.get(2, 0)) / d,\r\n            (-matrix.get(0, 0) * matrix.get(1, 2) + matrix.get(0, 2) * matrix.get(1, 0)) / d,\r\n            (matrix.get(1, 0)  * matrix.get(2, 1) - matrix.get(1, 1) * matrix.get(2, 0)) / d,\r\n            (-matrix.get(0, 0) * matrix.get(2, 1) + matrix.get(0, 1) * matrix.get(2, 0)) / d,\r\n            (matrix.get(0, 0)  * matrix.get(1, 1) - matrix.get(0, 1) * matrix.get(1, 0)) / d,\r\n        ]);\r\n    }\r\n\r\n    // | 0 1 2 |\r\n    // | 3 4 5 |\r\n    // | 6 7 8 |\r\n    protected elements: number[];\r\n\r\n    constructor(elements?: number[]) {\r\n        this.elements = (elements && elements.length === 9) ? elements.slice(0) : [1, 0, 0, 0, 1, 0, 0, 0, 1];\r\n    }\r\n\r\n    /**\r\n     * Set value to specified element of the matrix\r\n     */\r\n    public set(i: number, j: number, val: number) {\r\n        if ((i > 3) || (i < 0) || (j > 3) || (j < 0)) {\r\n            throw new Error(\"Wrong coefficients\");\r\n        }\r\n        this.elements[i * 3 + j] = val;\r\n    }\r\n\r\n    /**\r\n     * return specified element of the matrix\r\n     */\r\n    public get(i: number, j: number): number {\r\n        if ((i > 3) || (i < 0) || (j > 3) || (j < 0)) {\r\n            throw new Error(\"Wrong coefficients\");\r\n        }\r\n        return this.elements[i * 3 + j];\r\n    }\r\n\r\n    public scale(mult: number): Matrix3x3 {\r\n        return new Matrix3x3 ([\r\n            this.elements[0] * mult,\r\n            this.elements[1] * mult,\r\n            this.elements[2] * mult,\r\n            this.elements[3] * mult,\r\n            this.elements[4] * mult,\r\n            this.elements[5] * mult,\r\n            this.elements[6] * mult,\r\n            this.elements[7] * mult,\r\n            this.elements[8] * mult,\r\n        ]);\r\n    }\r\n\r\n    public project(mult: Vec3): Vec3 {\r\n        return new Vec3 (\r\n            this.elements[0] * mult.x +  this.elements[1] * mult.y + this.elements[2] * mult.z,\r\n            this.elements[3] * mult.x +  this.elements[4] * mult.y + this.elements[5] * mult.z,\r\n            this.elements[6] * mult.x +  this.elements[7] * mult.y + this.elements[8] * mult.z,\r\n        );\r\n    }\r\n\r\n    /**\r\n     * Returns matrix multiplication result to scalar, vector or another matrix\r\n     */\r\n    public multiply(mult: Matrix3x3): Matrix3x3 {\r\n        return new Matrix3x3([\r\n           this.elements[0] * mult.elements[0]  + this.elements[3] * mult.elements[1] + this.elements[6] * mult.elements[2],\r\n           this.elements[1] * mult.elements[0]  + this.elements[4] * mult.elements[1] + this.elements[7] * mult.elements[2],\r\n           this.elements[2] * mult.elements[0]  + this.elements[5] * mult.elements[1] + this.elements[8] * mult.elements[2],\r\n           this.elements[0] * mult.elements[3]  + this.elements[3] * mult.elements[4] + this.elements[6] * mult.elements[5],\r\n           this.elements[1] * mult.elements[3]  + this.elements[4] * mult.elements[4] + this.elements[7] * mult.elements[5],\r\n           this.elements[2] * mult.elements[3]  + this.elements[5] * mult.elements[4] + this.elements[8] * mult.elements[5],\r\n           this.elements[0] * mult.elements[6]  + this.elements[3] * mult.elements[7] + this.elements[6] * mult.elements[8],\r\n           this.elements[1] * mult.elements[6]  + this.elements[4] * mult.elements[7] + this.elements[7] * mult.elements[8],\r\n           this.elements[2] * mult.elements[6]  + this.elements[5] * mult.elements[7] + this.elements[8] * mult.elements[8],\r\n       ]);\r\n   }\r\n\r\n    /**\r\n     * Returns matrix determinant\r\n     */\r\n    public determinant(): number {\r\n        let result = this.get(0, 0) * (this.get(1, 1) * this.get(2, 2) - this.get(2, 1) * this.get(1, 2));\r\n        result -= this.get(1, 0) * (this.get(0, 1) * this.get(2, 2) - this.get(2, 1) * this.get(0, 2));\r\n        result += this.get(2, 0) * (this.get(0, 1) * this.get(1, 2) - this.get(1, 1) * this.get(0, 2));\r\n        return result;\r\n    }\r\n\r\n    /**\r\n     * Clone the matrix\r\n     */\r\n    public clone(): Matrix3x3 {\r\n        return new Matrix3x3(this.elements.slice(0));\r\n    }\r\n\r\n    /**\r\n     * Compare 2 matrixes\r\n     */\r\n    public equals(matrix: Matrix3x3): boolean {\r\n        return Matrix3x3.equals(this, matrix);\r\n    }\r\n\r\n    /**\r\n     * Returns string representation of the matrix\r\n     */\r\n    public toString(): string {\r\n         return \"(\" + [\r\n             this.elements[0].toFixed(3),\r\n             this.elements[1].toFixed(3),\r\n             this.elements[2].toFixed(3),\r\n             this.elements[3].toFixed(3),\r\n             this.elements[4].toFixed(3),\r\n             this.elements[5].toFixed(3),\r\n             this.elements[6].toFixed(3),\r\n             this.elements[7].toFixed(3),\r\n             this.elements[8].toFixed(3),\r\n         ].join(\",\") + \")\";\r\n    }\r\n}\r\n","import { EPSILON,  ICloneable, IEquatable } from \"@chemistry/common\";\r\nimport { Vec3 } from \"./vec3\";\r\n\r\n/**\r\n * Simple Class to work with special type of matrix.\r\n * | x1 x2  x3  x4 |\r\n * | x5 x6  x7  x8 |\r\n * | x8 x10 x11 x12|\r\n * | 0  0   0   1  |\r\n */\r\nexport class Matrix3x4 implements ICloneable<Matrix3x4>, IEquatable<Matrix3x4>  {\r\n\r\n    public static add(matrix1: Matrix3x4, matrix2: Matrix3x4): Matrix3x4 {\r\n        const m1 = matrix1.elements;\r\n        const m2 = matrix2.elements;\r\n        return new Matrix3x4([\r\n            m1[0]  +  m2[0],\r\n            m1[1]  +  m2[1],\r\n            m1[2]  +  m2[2],\r\n            m1[3]  +  m2[3],\r\n            m1[4]  +  m2[4],\r\n            m1[5]  +  m2[5],\r\n            m1[6]  +  m2[6],\r\n            m1[7]  +  m2[7],\r\n            m1[8]  +  m2[8],\r\n            m1[9]  +  m2[9],\r\n            m1[10] +  m2[10],\r\n            m1[11] +  m2[11],\r\n        ]);\r\n    }\r\n\r\n    public static sub(matrix1: Matrix3x4, matrix2: Matrix3x4): Matrix3x4 {\r\n        const m1 = matrix1.elements;\r\n        const m2 = matrix2.elements;\r\n        return new Matrix3x4([\r\n            m1[0]  -  m2[0],\r\n            m1[1]  -  m2[1],\r\n            m1[2]  -  m2[2],\r\n            m1[3]  -  m2[3],\r\n            m1[4]  -  m2[4],\r\n            m1[5]  -  m2[5],\r\n            m1[6]  -  m2[6],\r\n            m1[7]  -  m2[7],\r\n            m1[8]  -  m2[8],\r\n            m1[9]  -  m2[9],\r\n            m1[10] -  m2[10],\r\n            m1[11] -  m2[11],\r\n        ]);\r\n    }\r\n\r\n    public static inverse(matrix: Matrix3x4): Matrix3x4 {\r\n        const r = [];\r\n        let i;\r\n        let det;\r\n        const m = matrix.elements.slice(0, 12);\r\n        m[12] = 0;\r\n        m[13] = 0;\r\n        m[14] = 0;\r\n        m[15] = 1;\r\n\r\n        r[0] =  m[5] * m[10] * m[15] - m[5] * m[14] * m[11] - m[6] * m[9] * m[15]\r\n            + m[6] * m[13] * m[11] + m[7] * m[9] * m[14] - m[7] * m[13] * m[10];\r\n\r\n        r[1] = -m[1] * m[10] * m[15] + m[1] * m[14] * m[11] + m[2] * m[9] * m[15]\r\n        - m[2] * m[13] * m[11] - m[3] * m[9] * m[14] + m[3] * m[13] * m[10];\r\n\r\n        r[2] =  m[1] * m[6]  * m[15] - m[1] * m[14] * m[7]  - m[2] * m[5] * m[15]\r\n        + m[2] * m[13] * m[7]  + m[3] * m[5] * m[14] - m[3] * m[13] * m[6];\r\n\r\n        r[3] = -m[1] * m[6]  * m[11] + m[1] * m[10] * m[7]  + m[2] * m[5] * m[11]\r\n        - m[2] * m[9]  * m[7]  - m[3] * m[5] * m[10] + m[3] * m[9]  * m[6];\r\n\r\n        r[4] = -m[4] * m[10] * m[15] + m[4] * m[14] * m[11] + m[6] * m[8] * m[15]\r\n        - m[6] * m[12] * m[11] - m[7] * m[8] * m[14] + m[7] * m[12] * m[10];\r\n\r\n        r[5] =  m[0] * m[10] * m[15] - m[0] * m[14] * m[11] - m[2] * m[8] * m[15]\r\n        + m[2] * m[12] * m[11] + m[3] * m[8] * m[14] - m[3] * m[12] * m[10];\r\n\r\n        r[6] = -m[0] * m[6]  * m[15] + m[0] * m[14] * m[7]  + m[2] * m[4] * m[15]\r\n        - m[2] * m[12] * m[7]  - m[3] * m[4] * m[14] + m[3] * m[12] * m[6];\r\n\r\n        r[7] =  m[0] * m[6]  * m[11] - m[0] * m[10] * m[7]  - m[2] * m[4] * m[11]\r\n        + m[2] * m[8]  * m[7]  + m[3] * m[4] * m[10] - m[3] * m[8]  * m[6];\r\n\r\n        r[8]  =  m[4] * m[9] * m[15] - m[4] * m[13] * m[11] - m[5] * m[8] * m[15]\r\n        + m[5] * m[12] * m[11] + m[7] * m[8] * m[13] - m[7] * m[12] * m[9];\r\n\r\n        r[9]  = -m[0] * m[9] * m[15] + m[0] * m[13] * m[11] + m[1] * m[8] * m[15]\r\n        - m[1] * m[12] * m[11] - m[3] * m[8] * m[13] + m[3] * m[12] * m[9];\r\n\r\n        r[10] =  m[0] * m[5] * m[15] - m[0] * m[13] * m[7]  - m[1] * m[4] * m[15]\r\n        + m[1] * m[12] * m[7]  + m[3] * m[4] * m[13] - m[3] * m[12] * m[5];\r\n\r\n        r[11] = -m[0] * m[5] * m[11] + m[0] * m[9]  * m[7]  + m[1] * m[4] * m[11]\r\n        - m[1] * m[8]  * m[7]  - m[3] * m[4] * m[9]  + m[3] * m[8]  * m[5];\r\n\r\n        r[12] = -m[4] * m[9] * m[14] + m[4] * m[13] * m[10] + m[5] * m[8] * m[14]\r\n        - m[5] * m[12] * m[10] - m[6] * m[8] * m[13] + m[6] * m[12] * m[9];\r\n\r\n        r[13] =  m[0] * m[9] * m[14] - m[0] * m[13] * m[10] - m[1] * m[8] * m[14]\r\n        + m[1] * m[12] * m[10] + m[2] * m[8] * m[13] - m[2] * m[12] * m[9];\r\n\r\n        r[14] = -m[0] * m[5] * m[14] + m[0] * m[13] * m[6]  + m[1] * m[4] * m[14]\r\n        - m[1] * m[12] * m[6]  - m[2] * m[4] * m[13] + m[2] * m[12] * m[5];\r\n\r\n        r[15] =  m[0] * m[5] * m[10] - m[0] * m[9]  * m[6]  - m[1] * m[4] * m[10]\r\n        + m[1] * m[8]  * m[6]  + m[2] * m[4] * m[9]  - m[2] * m[8]  * m[5];\r\n\r\n        det = m[0] * r[0] + m[1] * r[4] + m[2] * r[8] + m[3] * r[12];\r\n        for (i = 0; i < 16; i++) {\r\n            r[i] /= det;\r\n        }\r\n        return new Matrix3x4(r.slice(0, 12));\r\n    }\r\n\r\n    public static isE(matrix: Matrix3x4): boolean {\r\n        return (Math.abs(matrix.elements[0] - 1) < EPSILON)\r\n            && (Math.abs(matrix.elements[1] - 0) < EPSILON)\r\n            && (Math.abs(matrix.elements[2] - 0) < EPSILON)\r\n            && (Math.abs(matrix.elements[3] - 0) < EPSILON)\r\n            && (Math.abs(matrix.elements[4] - 0) < EPSILON)\r\n            && (Math.abs(matrix.elements[5] - 1) < EPSILON)\r\n            && (Math.abs(matrix.elements[6] - 0) < EPSILON)\r\n            && (Math.abs(matrix.elements[7] - 0) < EPSILON)\r\n            && (Math.abs(matrix.elements[8]  - 0) < EPSILON)\r\n            && (Math.abs(matrix.elements[9]  - 0) < EPSILON)\r\n            && (Math.abs(matrix.elements[10] - 1) < EPSILON)\r\n            && (Math.abs(matrix.elements[11] - 0) < EPSILON);\r\n    }\r\n\r\n    public static equals(matrix1: Matrix3x4, matrix2: Matrix3x4): boolean {\r\n        return (Math.abs(matrix1.elements[0] - matrix2.elements[0]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[1] - matrix2.elements[1]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[2] - matrix2.elements[2]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[3] - matrix2.elements[3]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[4] - matrix2.elements[4]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[5] - matrix2.elements[5]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[6] - matrix2.elements[6]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[7] - matrix2.elements[7]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[8]  - matrix2.elements[8]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[9]  - matrix2.elements[9]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[10] - matrix2.elements[10]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[11] - matrix2.elements[11]) < EPSILON);\r\n    }\r\n\r\n    protected elements: number[];\r\n\r\n    constructor(elements?: number[]) {\r\n        this.elements = (elements && elements.length === 12) ? elements.slice(0) : [1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0];\r\n    }\r\n\r\n    /**\r\n     * Set value to specified element of the matrix\r\n     */\r\n    public set(i: number, j: number, val: number) {\r\n        if ((i > 3) || (i < 0) || (j > 4) || (j < 0)) {\r\n            throw new Error(\"Wrong coefficients\");\r\n        }\r\n        this.elements[i * 4 + j] = val;\r\n    }\r\n\r\n    /**\r\n     * return specified element of the matrix\r\n     * @param  {Number} i row\r\n     * @param  {Number} j column\r\n     * @return {Number}\r\n     */\r\n    public get(i: number, j: number) {\r\n        if ((i > 3) || (i < 0) || (j > 4) || (j < 0)) {\r\n            throw new Error(\"Incorrect  coeficients\");\r\n        }\r\n        return this.elements[i * 4 + j];\r\n    }\r\n\r\n    public add(matrix: Matrix3x4): Matrix3x4 {\r\n        return Matrix3x4.add(this, matrix);\r\n    }\r\n\r\n    public sub(matrix: Matrix3x4): Matrix3x4 {\r\n        return Matrix3x4.sub(this, matrix);\r\n    }\r\n\r\n    public translate(v: Vec3): Matrix3x4 {\r\n        const elements = this.elements.slice(0);\r\n        elements[3]  = elements[3] + v.x;\r\n        elements[7]  = elements[7] + v.y;\r\n        elements[11] = elements[11] + v.z;\r\n        return new Matrix3x4(elements);\r\n    }\r\n\r\n    public scale(mult: number): Matrix3x4 {\r\n        return new Matrix3x4([\r\n            this.elements[0] * mult,\r\n            this.elements[1] * mult,\r\n            this.elements[2] * mult,\r\n            this.elements[3] * mult,\r\n            this.elements[4] * mult,\r\n            this.elements[5] * mult,\r\n            this.elements[6] * mult,\r\n            this.elements[7] * mult,\r\n            this.elements[8] * mult,\r\n            this.elements[9] * mult,\r\n            this.elements[10] * mult,\r\n            this.elements[11] * mult,\r\n        ]);\r\n    }\r\n\r\n    public project(mult: Vec3): Vec3 {\r\n        return new Vec3(\r\n            this.elements[0] * mult.x +  this.elements[1] * mult.y + this.elements[2] * mult.z  +  this.elements[3],\r\n            this.elements[4] * mult.x +  this.elements[5] * mult.y + this.elements[6] * mult.z  +  this.elements[7],\r\n            this.elements[8] * mult.x +  this.elements[9] * mult.y + this.elements[10] * mult.z  +  this.elements[11],\r\n        );\r\n    }\r\n\r\n    public multiply(mult: Matrix3x4) {\r\n        const elements = [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0];\r\n        elements[0]  = mult.elements[0] * this.elements[0] + mult.elements[4] * this.elements[1] + mult.elements[8] *  this.elements[2];\r\n        elements[1]  = mult.elements[1] * this.elements[0] + mult.elements[5] * this.elements[1] + mult.elements[9] *  this.elements[2];\r\n        elements[2]  = mult.elements[2] * this.elements[0] + mult.elements[6] * this.elements[1] + mult.elements[10] * this.elements[2];\r\n        elements[3]  = mult.elements[3] * this.elements[0] + mult.elements[7] * this.elements[1] + mult.elements[11] * this.elements[2]\r\n            + this.elements[3];\r\n\r\n        elements[4]  = mult.elements[0] * this.elements[4] + mult.elements[4] * this.elements[5] + mult.elements[8] *  this.elements[6];\r\n        elements[5]  = mult.elements[1] * this.elements[4] + mult.elements[5] * this.elements[5] + mult.elements[9] *  this.elements[6];\r\n        elements[6]  = mult.elements[2] * this.elements[4] + mult.elements[6] * this.elements[5] + mult.elements[10] * this.elements[6];\r\n        elements[7]  = mult.elements[3] * this.elements[4] + mult.elements[7] * this.elements[5] + mult.elements[11] * this.elements[6]\r\n            + this.elements[7];\r\n\r\n        elements[8]  = mult.elements[0] * this.elements[8] + mult.elements[4] * this.elements[9] + mult.elements[8] *  this.elements[10];\r\n        elements[9]  = mult.elements[1] * this.elements[8] + mult.elements[5] * this.elements[9] + mult.elements[9] *  this.elements[10];\r\n        elements[10] = mult.elements[2] * this.elements[8] + mult.elements[6] * this.elements[9] + mult.elements[10] * this.elements[10];\r\n        elements[11] = mult.elements[3] * this.elements[8] + mult.elements[7] * this.elements[9] + mult.elements[11] * this.elements[10]\r\n            + this.elements[11];\r\n        return new Matrix3x4(elements);\r\n    }\r\n\r\n    public inverse(): Matrix3x4 {\r\n        return Matrix3x4.inverse(this);\r\n    }\r\n\r\n    public isE() {\r\n        return Matrix3x4.isE(this);\r\n    }\r\n\r\n    public equals(matrix: Matrix3x4): boolean {\r\n        return Matrix3x4.equals(this, matrix);\r\n    }\r\n\r\n    public clone(): Matrix3x4 {\r\n        return new Matrix3x4(this.elements);\r\n    }\r\n\r\n    public toString(): string {\r\n        return \"(\" + this.elements.slice(0, 12).map((element) => element.toFixed(3)) + \")\";\r\n    }\r\n\r\n    /**\r\n     * Return transformation matrix as symetry code (common in Crystallography)\r\n     * e.g. 1-x,1-y,1-z\r\n     */\r\n    public toSymetryCode(): string {\r\n\r\n        function formatSymNumber(num: number): string {\r\n            return (Math.round(num * 1000) / 1000).toString();\r\n        }\r\n        function closeToOne(num: number) {\r\n            return (Math.abs(num - 1) < 0.001);\r\n        }\r\n\r\n        function codePart1(x: number, y: number, z: number, l: number): string {\r\n            const arr = [];\r\n\r\n            if (x !== 0) {\r\n                if (closeToOne(Math.abs(x))) {\r\n                    arr.push(x > 0 ? \"x\" : \"-x\");\r\n                } else {\r\n                    arr.push(formatSymNumber(x) + \"x\");\r\n                }\r\n            }\r\n            if (y !== 0) {\r\n                if (closeToOne(Math.abs(y))) {\r\n                    arr.push(y > 0 ? \"y\" : \"-y\");\r\n                } else {\r\n                    arr.push(formatSymNumber(y) + \"y\");\r\n                }\r\n            }\r\n            if (z !== 0) {\r\n                if (closeToOne(Math.abs(z))) {\r\n                    arr.push(z > 0 ? \"z\" : \"-z\");\r\n                } else {\r\n                    arr.push(formatSymNumber(z) + \"z\");\r\n                }\r\n            }\r\n            if (l !== 0) {\r\n                arr.push(formatSymNumber(l));\r\n            }\r\n\r\n            return arr.reduce((curr, next) => {\r\n                if (next && next.charAt(0) === \"-\") {\r\n                    return curr + next;\r\n                }\r\n                if (curr === \"\") {\r\n                    return next;\r\n                }\r\n                return curr + \"+\" + next;\r\n            }, \"\");\r\n        }\r\n        const sx = codePart1(this.elements[0],  this.elements[1],  this.elements[2],  this.elements[3]);\r\n        const sy = codePart1(this.elements[4],  this.elements[5],  this.elements[6],  this.elements[7]);\r\n        const sz = codePart1(this.elements[8],  this.elements[9],  this.elements[10],  this.elements[11]);\r\n        return sx + \",\" + sy + \",\" + sz;\r\n    }\r\n\r\n}\r\n","import { EPSILON,  ICloneable, IEquatable } from \"@chemistry/common\";\r\nimport { Quaternion } from \"./quaternion\";\r\nimport { Vec3 } from \"./vec3\";\r\n\r\n/**\r\n * Class to work with Matrix4x4 (When normalized have proberty  A^-1 = A^t)\r\n * (used for transformation in 3D)\r\n * |  0  4  8  12  |   |  RS R  R  T  |\r\n * |  1  5  9  13  |   |  R  RS R  T  |\r\n * |  2  6  10 14  | = |  R  R  RS T  |\r\n * |  3  7  11 15  |   |  0  0  0  1  |\r\n */\r\nexport class Transform3D implements ICloneable<Transform3D> {\r\n\r\n    public static equals(matrix1: Transform3D, matrix2: Transform3D): boolean {\r\n        return (Math.abs(matrix1.elements[0] - matrix2.elements[0]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[1] - matrix2.elements[1]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[2] - matrix2.elements[2]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[3] - matrix2.elements[3]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[4] - matrix2.elements[4]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[5] - matrix2.elements[5]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[6] - matrix2.elements[6]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[7] - matrix2.elements[7]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[8]  - matrix2.elements[8]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[9]  - matrix2.elements[9]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[10] - matrix2.elements[10]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[11] - matrix2.elements[11]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[12]  - matrix2.elements[12]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[13]  - matrix2.elements[13]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[14] - matrix2.elements[14]) < EPSILON)\r\n            && (Math.abs(matrix1.elements[15] - matrix2.elements[15]) < EPSILON);\r\n    }\r\n\r\n    /**\r\n     * Return Transformation from Scale\r\n     */\r\n    public static fromScale(scale: number): Transform3D {\r\n        return new Transform3D([scale, 0, 0, 0, 0, scale, 0, 0, 0, 0, scale, 0, 0, 0, 0, 1]);\r\n    }\r\n\r\n    /**\r\n     * Return Transformation from Quaternion\r\n     */\r\n    public static fromQuaternion(quaternion: Quaternion): Transform3D {\r\n        const elements = [1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1];\r\n        const x2 = quaternion.X() + quaternion.X();\r\n        const y2 = quaternion.Y() + quaternion.Y();\r\n        const z2 = quaternion.Z() + quaternion.Z();\r\n        const xx = quaternion.X() * x2;\r\n        const xy = quaternion.X() * y2;\r\n        const xz = quaternion.X() * z2;\r\n        const yy = quaternion.Y() * y2;\r\n        const yz = quaternion.Y() * z2;\r\n        const zz = quaternion.Z() * z2;\r\n        const wx = quaternion.W() * x2;\r\n        const wy = quaternion.W() * y2;\r\n        const wz = quaternion.W() * z2;\r\n        elements[3] = elements[7] = elements[11] = elements[12] = elements[13] = elements[14] = 0; elements[15] = 1;\r\n        elements[0] = 1 - (yy + zz);    elements[4] = xy + wz;    elements[8] = xz - wy;\r\n        elements[1] = xy - wz;    elements[5] = 1 - (xx + zz); elements[9] = yz + wx;\r\n        elements[2] = xz + wy;    elements[6] = yz - wx;  elements[10] = 1 - (xx + yy);\r\n        return new Transform3D(elements);\r\n    }\r\n\r\n    public static fromMultiplication(transform1: Transform3D, transform2: Transform3D): Transform3D {\r\n        const m1 = transform1.elements;\r\n        const m2 = transform2.elements;\r\n\r\n        return new Transform3D([\r\n            m1[0] * m2[0] + m1[1] * m2[4] + m1[2] * m2[8] + m1[3] * m2[12],\r\n            m1[0] * m2[1] + m1[1] * m2[5] + m1[2] * m2[9] + m1[3] * m2[13],\r\n            m1[0] * m2[2] + m1[1] * m2[6] + m1[2] * m2[10] + m1[3] * m2[14],\r\n            m1[0] * m2[3] + m1[1] * m2[7] + m1[2] * m2[11] + m1[3] * m2[15],\r\n            m1[4] * m2[0] + m1[5] * m2[4] + m1[6] * m2[8] + m1[7] * m2[12],\r\n            m1[4] * m2[1] + m1[5] * m2[5] + m1[6] * m2[9] + m1[7] * m2[13],\r\n            m1[4] * m2[2] + m1[5] * m2[6] + m1[6] * m2[10] + m1[7] * m2[14],\r\n            m1[4] * m2[3] + m1[5] * m2[7] + m1[6] * m2[11] + m1[7] * m2[15],\r\n            m1[8] * m2[0] + m1[9] * m2[4] + m1[10] * m2[8] + m1[11] * m2[12],\r\n            m1[8] * m2[1] + m1[9] * m2[5] + m1[10] * m2[9] + m1[11] * m2[13],\r\n            m1[8] * m2[2] + m1[9] * m2[6] + m1[10] * m2[10] + m1[11] * m2[14],\r\n            m1[8] * m2[3] + m1[9] * m2[7] + m1[10] * m2[11] + m1[11] * m2[15],\r\n            m1[12] * m2[0] + m1[13] * m2[4] + m1[14] * m2[8] + m1[15] * m2[12],\r\n            m1[12] * m2[1] + m1[13] * m2[5] + m1[14] * m2[9] + m1[15] * m2[13],\r\n            m1[12] * m2[2] + m1[13] * m2[6] + m1[14] * m2[10] + m1[15] * m2[14],\r\n            m1[12] * m2[3] + m1[13] * m2[7] + m1[14] * m2[11] + m1[15] * m2[15],\r\n        ]);\r\n    }\r\n\r\n    /**\r\n     * Return Transformation by Translation\r\n     */\r\n   public static fromTranslation(translation: Vec3): Transform3D {\r\n       return new Transform3D([\r\n           1, 0, 0, 0,\r\n           0, 1, 0, 0,\r\n           0, 0, 1, 0,\r\n           translation.x,\r\n           translation.y,\r\n           translation.z,\r\n           1,\r\n       ]);\r\n   }\r\n\r\n   /**\r\n    * Return Transformation from rootation about an axis\r\n    */\r\n    public static fromRotation(axis: Vec3, angle: number): Transform3D {\r\n        const quat = Quaternion.fromAxisAngle(axis, angle);\r\n        return Transform3D.fromQuaternion(quat);\r\n    }\r\n\r\n    protected elements: number[];\r\n\r\n    constructor(elements?: number[]) {\r\n        if (elements && elements.length) {\r\n            if (elements.length !== 16) {\r\n                throw new Error (\"Wrong array length. expected 16\");\r\n            }\r\n            this.elements = elements.slice(0);\r\n            return;\r\n        }\r\n\r\n        this.elements = [1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1];\r\n    }\r\n\r\n    public toString(): string {\r\n        return \"(\" + this.elements.slice(0, 16).map((element) => element.toFixed(3)) + \")\";\r\n    }\r\n\r\n   /**\r\n    * Set value to specified element of the matrix\r\n    */\r\n    public set(row: number, col: number, value: number) {\r\n        if ((row > 4) || (row < 0) || (col > 4) || (col < 0)) {\r\n           throw new Error(\"Incorrect coeficients\");\r\n        }\r\n        this.elements[row + col * 4] = value;\r\n    }\r\n\r\n   /**\r\n    * Return specified element of the matrix\r\n    */\r\n    public get(row: number, col: number): number {\r\n        if ((row > 4) || (row < 0) || (col > 4) || (col < 0)) {\r\n            throw new Error(\"Incorrect coeficients\");\r\n        }\r\n        return this.elements[row + col * 4];\r\n    }\r\n\r\n    /**\r\n     *  Multipy vector to the Matrix\r\n     */\r\n    public project(position: Vec3): Vec3 {\r\n        const x = this.elements[0] * position.x + this.elements[4] * position.y + this.elements[8]  * position.z + this.elements[12];\r\n        const y = this.elements[1] * position.x + this.elements[5] * position.y + this.elements[9]  * position.z + this.elements[13];\r\n        const z = this.elements[2] * position.x + this.elements[6] * position.y + this.elements[10] * position.z + this.elements[14];\r\n        return new Vec3(x, y, z);\r\n    }\r\n\r\n    public rotate(axis: Vec3, angle: number): Transform3D {\r\n        const quat = Quaternion.fromAxisAngle(axis, angle);\r\n        const x = Transform3D.fromQuaternion(quat);\r\n        return Transform3D.fromMultiplication(this, x);\r\n    }\r\n    /**\r\n     * Add translational component to current transformation\r\n     */\r\n    public translate(vec: Vec3): Transform3D {\r\n        const m = this.elements;\r\n        return new Transform3D([m[0], m[1], m[2], m[3], m[4], m[5], m[6], m[7], m[8], m[9], m[10],\r\n                                m[11], (m[12] + vec.x), (m[13] + vec.y), (m[14] + vec.z), m[15]]);\r\n    }\r\n\r\n    /**\r\n     * Extract translational component of the transformation\r\n     */\r\n    public extractTranslation(): Vec3 {\r\n       return new Vec3 (\r\n           this.elements[12],\r\n           this.elements[13],\r\n           this.elements[14],\r\n       );\r\n    }\r\n\r\n    public extractScale(): number {\r\n        const m = this.elements;\r\n        const t = new Transform3D([m[0], m[1], m[2], m[3], m[4], m[5], m[6], m[7], m[8], m[9], m[10], m[11], 0, 0, 0, 1]);\r\n        const vec = t.project(new Vec3(1, 1, 1));\r\n        return vec.length / Math.sqrt(3);\r\n    }\r\n\r\n    /**\r\n     * Return Inverse to current transformation (by inverting matrix)\r\n     * (allow to unproject vectors)\r\n     */\r\n    public inverse() {\r\n        let i;\r\n        let det;\r\n        const r = new Array(16);\r\n        const m = this.elements;\r\n\r\n        r[0] =  m[5] * m[10] * m[15] - m[5] * m[14] * m[11] - m[6] * m[9] * m[15] + m[6] * m[13] * m[11]\r\n            + m[7] * m[9] * m[14] - m[7] * m[13] * m[10];\r\n        r[1] = -m[1] * m[10] * m[15] + m[1] * m[14] * m[11] + m[2] * m[9] * m[15] - m[2] * m[13] * m[11]\r\n            - m[3] * m[9] * m[14] + m[3] * m[13] * m[10];\r\n        r[2] =  m[1] * m[6]  * m[15] - m[1] * m[14] * m[7]  - m[2] * m[5] * m[15] + m[2] * m[13] * m[7]\r\n            + m[3] * m[5] * m[14] - m[3] * m[13] * m[6];\r\n        r[3] = -m[1] * m[6]  * m[11] + m[1] * m[10] * m[7]  + m[2] * m[5] * m[11] - m[2] * m[9]  * m[7]\r\n            - m[3] * m[5] * m[10] + m[3] * m[9]  * m[6];\r\n        r[4] = -m[4] * m[10] * m[15] + m[4] * m[14] * m[11] + m[6] * m[8] * m[15] - m[6] * m[12] * m[11]\r\n            - m[7] * m[8] * m[14] + m[7] * m[12] * m[10];\r\n        r[5] =  m[0] * m[10] * m[15] - m[0] * m[14] * m[11] - m[2] * m[8] * m[15] + m[2] * m[12] * m[11]\r\n            + m[3] * m[8] * m[14] - m[3] * m[12] * m[10];\r\n        r[6] = -m[0] * m[6]  * m[15] + m[0] * m[14] * m[7]  + m[2] * m[4] * m[15] - m[2] * m[12] * m[7]\r\n            - m[3] * m[4] * m[14] + m[3] * m[12] * m[6];\r\n        r[7] =  m[0] * m[6]  * m[11] - m[0] * m[10] * m[7]  - m[2] * m[4] * m[11] + m[2] * m[8]  * m[7]\r\n            + m[3] * m[4] * m[10] - m[3] * m[8]  * m[6];\r\n        r[8] =  m[4]  * m[9] * m[15] - m[4] * m[13] * m[11] - m[5] * m[8] * m[15] + m[5] * m[12] * m[11]\r\n            + m[7] * m[8] * m[13] - m[7] * m[12] * m[9];\r\n        r[9] = -m[0]  * m[9] * m[15] + m[0] * m[13] * m[11] + m[1] * m[8] * m[15] - m[1] * m[12] * m[11]\r\n            - m[3] * m[8] * m[13] + m[3] * m[12] * m[9];\r\n        r[10] = m[0]  * m[5] * m[15] - m[0] * m[13] * m[7]  - m[1] * m[4] * m[15] + m[1] * m[12] * m[7]\r\n            + m[3] * m[4] * m[13] - m[3] * m[12] * m[5];\r\n        r[11] = -m[0] * m[5] * m[11] + m[0] * m[9]  * m[7]  + m[1] * m[4] * m[11] - m[1] * m[8]  * m[7]\r\n            - m[3] * m[4] * m[9]  + m[3] * m[8]  * m[5];\r\n        r[12] = -m[4] * m[9] * m[14] + m[4] * m[13] * m[10] + m[5] * m[8] * m[14] - m[5] * m[12] * m[10]\r\n            - m[6] * m[8] * m[13] + m[6] * m[12] * m[9];\r\n        r[13] = m[0] * m[9] * m[14]  - m[0] * m[13] * m[10] - m[1] * m[8] * m[14] + m[1] * m[12] * m[10]\r\n            + m[2] * m[8] * m[13] - m[2] * m[12] * m[9];\r\n        r[14] = -m[0] * m[5] * m[14] + m[0] * m[13] * m[6]  + m[1] * m[4] * m[14] - m[1] * m[12] * m[6]\r\n            - m[2] * m[4] * m[13] + m[2] * m[12] * m[5];\r\n        r[15] = m[0] * m[5] * m[10]  - m[0] * m[9]  * m[6]  - m[1] * m[4] * m[10] + m[1] * m[8]  * m[6]\r\n            + m[2] * m[4] * m[9] - m[2] * m[8] * m[5];\r\n        det = m[0] * r[0] + m[1] * r[4] + m[2] * r[8] + m[3] * r[12];\r\n        for (i = 0; i < 16; i++) {\r\n            r[i] /= det;\r\n        }\r\n        return new Transform3D(r);\r\n    }\r\n\r\n    /**\r\n     * Return determinant of transformation matrix\r\n     */\r\n    public determinant() {\r\n        const value = this.get(0, 3) * this.get(1, 2) * this.get(2, 1) * this.get(3, 0)\r\n            - this.get(0, 1) * this.get(1, 3) * this.get(2, 1) * this.get(3, 0)\r\n            - this.get(0, 3) * this.get(1, 1) * this.get(2, 2) * this.get(3, 0)\r\n            + this.get(0, 1) * this.get(1, 3) * this.get(2, 2) * this.get(3, 0)\r\n            + this.get(0, 1) * this.get(1, 1) * this.get(2, 3) * this.get(3, 0)\r\n            - this.get(0, 1) * this.get(1, 2) * this.get(2, 3) * this.get(3, 0)\r\n            - this.get(0, 3) * this.get(1, 2) * this.get(2, 0) * this.get(3, 1)\r\n            + this.get(0, 1) * this.get(1, 3) * this.get(2, 0) * this.get(3, 1)\r\n            + this.get(0, 3) * this.get(1, 0) * this.get(2, 2) * this.get(3, 1)\r\n            - this.get(0, 0) * this.get(1, 3) * this.get(2, 2) * this.get(3, 1)\r\n            - this.get(0, 1) * this.get(1, 0) * this.get(2, 3) * this.get(3, 1)\r\n            + this.get(0, 0) * this.get(1, 2) * this.get(2, 3) * this.get(3, 1)\r\n            + this.get(0, 3) * this.get(1, 1) * this.get(2, 0) * this.get(3, 2)\r\n            - this.get(0, 1) * this.get(1, 3) * this.get(2, 0) * this.get(3, 2)\r\n            - this.get(0, 3) * this.get(1, 0) * this.get(2, 1) * this.get(3, 2)\r\n            + this.get(0, 0) * this.get(1, 3) * this.get(2, 1) * this.get(3, 2)\r\n            + this.get(0, 1) * this.get(1, 0) * this.get(2, 3) * this.get(3, 2)\r\n            - this.get(0, 0) * this.get(1, 1) * this.get(2, 3) * this.get(3, 2)\r\n            - this.get(0, 1) * this.get(1, 1) * this.get(2, 0) * this.get(3, 3)\r\n            + this.get(0, 1) * this.get(1, 2) * this.get(2, 0) * this.get(3, 3)\r\n            + this.get(0, 1) * this.get(1, 0) * this.get(2, 1) * this.get(3, 3)\r\n            - this.get(0, 0) * this.get(1, 2) * this.get(2, 1) * this.get(3, 3)\r\n            - this.get(0, 1) * this.get(1, 0) * this.get(2, 2) * this.get(3, 3)\r\n            + this.get(0, 0) * this.get(1, 1) * this.get(2, 2) * this.get(3, 3);\r\n        return value;\r\n    }\r\n    /**\r\n     * Clone current transformation\r\n     */\r\n    public clone(): Transform3D {\r\n        return new Transform3D(this.elements);\r\n    }\r\n\r\n    public equals(transform: Transform3D): boolean {\r\n        return Transform3D.equals(this, transform);\r\n    }\r\n}\r\n","import { Vec3 } from \"./vec3\";\r\n/**\r\n * Simple Class to work with Quaternion\r\n */\r\nexport class Quaternion {\r\n\r\n    /**\r\n     * Get Quaternion from Axis angle\r\n     */\r\n    public static fromAxisAngle(axis: Vec3, angle: number) {\r\n        const f = angle * 0.5;\r\n        const pt = axis.scale(Math.sin(f));\r\n        return new Quaternion(pt.x, pt.y, pt.z, Math.cos(f));\r\n    }\r\n\r\n    protected data: number[];\r\n\r\n    constructor(x: number, y: number, z: number, w: number) {\r\n        this.data = [x, y, z, w];\r\n    }\r\n\r\n    /**\r\n     * X Component\r\n     */\r\n    public X(): number {\r\n        return this.data[0];\r\n    }\r\n\r\n    /**\r\n     * Y Component\r\n     */\r\n    public Y(): number {\r\n        return this.data[1];\r\n    }\r\n\r\n    /**\r\n     * Z Component\r\n     */\r\n    public Z(): number {\r\n        return this.data[2];\r\n    }\r\n\r\n    /**\r\n     * W Component\r\n     */\r\n    public W(): number {\r\n        return this.data[3];\r\n    }\r\n}\r\n","import { EPSILON,  ICloneable, IEquatable } from \"@chemistry/common\";\r\n\r\nexport interface IVec2 {\r\n    x: number;\r\n    y: number;\r\n}\r\n\r\nexport class Vec2 implements IVec2, ICloneable<Vec2>, IEquatable<Vec2> {\r\n\r\n    public static add(v1: Vec2, v2: Vec2): Vec2 {\r\n        return new Vec2(v1.x + v2.x, v1.y + v2.y);\r\n    }\r\n\r\n    public static sub(v1: Vec2, v2: Vec2): Vec2 {\r\n        return new Vec2(v1.x - v2.x, v1.y - v2.y);\r\n    }\r\n\r\n    public static dot(v1: Vec2, v2: Vec2): number {\r\n        return (v1.x * v2.x +  v1.y * v2.y);\r\n    }\r\n\r\n    public static equals(v1: Vec2, v2: Vec2): boolean {\r\n        return (Math.abs(v1.x - v2.x) < EPSILON)\r\n            && (Math.abs(v1.y - v2.y) < EPSILON);\r\n    }\r\n\r\n    public x: number;\r\n    public y: number;\r\n\r\n    constructor(x: number, y: number) {\r\n        this.x = x;\r\n        this.y = y;\r\n    }\r\n\r\n    public get length(): number {\r\n        return Math.sqrt(this.x * this.x + this.y * this.y);\r\n    }\r\n\r\n    public get lengthPow2(): number {\r\n        return (this.x * this.x + this.y * this.y);\r\n    }\r\n\r\n    public get avg(): number {\r\n        return (this.x + this.y) / 3;\r\n    }\r\n\r\n    public scale(num: number): Vec2 {\r\n        return new Vec2(this.x * num, this.y * num);\r\n    }\r\n\r\n    public normalize() {\r\n        const len = this.length;\r\n        if (len === 0) {\r\n            throw new Error(\"Can not normalize zero vector\");\r\n        } else {\r\n            return new Vec2(this.x / len, this.y / len);\r\n        }\r\n    }\r\n\r\n    public dot(vec: Vec2): number {\r\n        return Vec2.dot(this, vec);\r\n    }\r\n\r\n    public sub(vec: Vec2): Vec2 {\r\n        return Vec2.sub(this, vec);\r\n    }\r\n\r\n    public add(vector: Vec2): Vec2 {\r\n        return Vec2.add(this, vector);\r\n    }\r\n\r\n    public equals(vec: Vec2) {\r\n        return Vec2.equals(this, vec);\r\n    }\r\n\r\n    public clone() {\r\n        return new Vec2(this.x, this.y);\r\n    }\r\n\r\n    public toString() {\r\n        return \"(\" + this.x.toFixed(3) + \",\" + this.y.toFixed(3) + \")\";\r\n    }\r\n}\r\n"],"sourceRoot":""}

package/package-lock.json

@@ -1,11 +0,0 @@
-{
-    "name": "@chemistry/math",
-    "version": "2.5.1",
-    "lockfileVersion": 1,
-    "requires": true,
-    "dependencies": {
-        "@chemistry/common": {
-            "version": "2.5.1"
-        }
-    }
-}