@chemistry/molecule 2.9.0 → 3.0.1

package/README.md

@@ -1,12 +1,71 @@
 # @chemistry/molecule
 
-[![npm version](https://badge.fury.io/js/%40chemistry%2Fmolecule.svg)](https://badge.fury.io/js/%40chemistry%2molecule)
-[![Build Status](https://travis-ci.com/chemistry/chemical-libraries.svg?branch=master)](https://travis-ci.org/chemistry/chemical-libraries)
-[![codecov](https://codecov.io/gh/chemistry/chemical-libraries/branch/master/graph/badge.svg)](https://codecov.io/gh/chemistry/chemical-libraries)
+[![npm version](https://badge.fury.io/js/%40chemistry%2Fmolecule.svg)](https://badge.fury.io/js/%40chemistry%2Fmolecule)
 [![License: MIT](https://img.shields.io/badge/License-MIT-gren.svg)](https://opensource.org/licenses/MIT)
 
-## Molecule
-Simple library that allows working with molecule (add atom, bonds, etc.) & preforming substructure search;
+Library for working with molecular structures — add atoms, bonds, and export to SVG.
 
-## Commands:
-  * Build project: `npm run build`
+## Install
+
+```bash
+npm install @chemistry/molecule
+```
+
+## Usage
+
+```typescript
+import { Molecule } from '@chemistry/molecule';
+
+// Load molecule from JNMol format
+const mol = new Molecule();
+mol.load({
+  id: 'acetone',
+  title: 'Acetone',
+  atoms: {
+    a1: { x: 0, y: 0, z: 0, type: 'C' },
+    a2: { x: 1.2, y: 0, z: 0, type: 'C' },
+    a3: { x: 2.4, y: 0, z: 0, type: 'O' },
+  },
+  bonds: {
+    b1: { atom1: 'a1', atom2: 'a2', order: 1 },
+    b2: { atom1: 'a2', atom2: 'a3', order: 2 },
+  },
+});
+
+// Query molecule properties
+console.log(mol.getAtomCount()); // 3
+console.log(mol.getBondCount()); // 2
+
+// Export to SVG string
+const svg = mol.toSVG();
+```
+
+## API
+
+### `new Molecule()`
+
+Creates an empty molecule instance.
+
+### `mol.load(data: unknown)`
+
+Loads molecular data in JNMol format (atoms with x/y/z coordinates and type, bonds with atom references and order).
+
+### `mol.getAtomCount(): number`
+
+Returns the number of atoms in the molecule.
+
+### `mol.getBondCount(): number`
+
+Returns the number of bonds in the molecule.
+
+### `mol.toSVG(options?: SvgExportOptions): string`
+
+Renders the molecule as an SVG string. Accepts optional display options for bond length, colors, labels, etc.
+
+## Peer Dependencies
+
+- `react` (optional) — required only for SVG export functionality
+
+## License
+
+MIT

package/dist/index.d.ts

@@ -1,2 +1,3 @@
-export * from "./molecule";
-export * from "./models";
+export * from './molecule';
+export * from './models';
+//# sourceMappingURL=index.d.ts.map

package/dist/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":"AAAA,cAAc,YAAY,CAAC;AAC3B,cAAc,UAAU,CAAC"}

package/dist/index.js

@@ -0,0 +1,3 @@
+export * from './molecule';
+export * from './models';
+//# sourceMappingURL=index.js.map

package/dist/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":"AAAA,cAAc,YAAY,CAAC;AAC3B,cAAc,UAAU,CAAC"}

package/dist/models.d.ts

@@ -3,7 +3,7 @@ export declare enum MoleculeDataFormat {
     jnmol = "jnmol"
 }
 export declare enum displayLabelsType {
-    dispalyAllLabels = "dispalyAllLabels",
+    displayAllLabels = "displayAllLabels",
     hideAllCarbonLabels = "hideAllCarbonLabels",
     hideNonTerminalCarbonLabels = "hideNonTerminalCarbonLabels"
 }
@@ -12,10 +12,11 @@ export interface SvgExportOptions {
     bondLength?: number;
     bondWidth?: number;
     bondSpacing?: number;
-    bondShorerning?: number;
+    bondShortening?: number;
     fontFamily?: string;
     fontSize?: number;
     displayHydrogens?: boolean;
     displayLabels?: displayLabelsType;
 }
 export declare const defaultSvgOptions: SvgExportOptions;
+//# sourceMappingURL=models.d.ts.map

package/dist/models.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"models.d.ts","sourceRoot":"","sources":["../src/models.ts"],"names":[],"mappings":"AAAA,oBAAY,kBAAkB;IAC5B,IAAI,SAAS;IACb,KAAK,UAAU;CAChB;AAED,oBAAY,iBAAiB;IAC3B,gBAAgB,qBAAqB;IACrC,mBAAmB,wBAAwB;IAC3C,2BAA2B,gCAAgC;CAC5D;AAED,MAAM,WAAW,gBAAgB;IAC/B,aAAa,CAAC,EAAE,OAAO,CAAC;IACxB,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB,SAAS,CAAC,EAAE,MAAM,CAAC;IACnB,WAAW,CAAC,EAAE,MAAM,CAAC;IACrB,cAAc,CAAC,EAAE,MAAM,CAAC;IACxB,UAAU,CAAC,EAAE,MAAM,CAAC;IACpB,QAAQ,CAAC,EAAE,MAAM,CAAC;IAClB,gBAAgB,CAAC,EAAE,OAAO,CAAC;IAC3B,aAAa,CAAC,EAAE,iBAAiB,CAAC;CACnC;AAED,eAAO,MAAM,iBAAiB,EAAE,gBAU/B,CAAC"}

package/dist/models.js

@@ -0,0 +1,23 @@
+export var MoleculeDataFormat;
+(function (MoleculeDataFormat) {
+    MoleculeDataFormat["jmol"] = "jmol";
+    MoleculeDataFormat["jnmol"] = "jnmol";
+})(MoleculeDataFormat || (MoleculeDataFormat = {}));
+export var displayLabelsType;
+(function (displayLabelsType) {
+    displayLabelsType["displayAllLabels"] = "displayAllLabels";
+    displayLabelsType["hideAllCarbonLabels"] = "hideAllCarbonLabels";
+    displayLabelsType["hideNonTerminalCarbonLabels"] = "hideNonTerminalCarbonLabels";
+})(displayLabelsType || (displayLabelsType = {}));
+export const defaultSvgOptions = {
+    colorElements: true,
+    bondLength: 40,
+    bondWidth: 1,
+    bondSpacing: 0.08,
+    bondShortening: 0,
+    fontFamily: 'Helvetica, Arial, sans-serif',
+    fontSize: 14,
+    displayHydrogens: false,
+    displayLabels: displayLabelsType.hideNonTerminalCarbonLabels,
+};
+//# sourceMappingURL=models.js.map

package/dist/models.js.map

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

@@ -1,11 +1,14 @@
-import { MoleculeDataFormat } from "./models";
-import { SvgExportOptions } from "./models";
+import type React from 'react';
+import { MoleculeDataFormat } from './models';
+import type { SvgExportOptions } from './models';
+import { type IMoleculeState } from './store';
 export declare class Molecule {
     private store;
     private get state();
     getAtomCount(): number;
     getBondCount(): number;
-    load(data: any, format?: MoleculeDataFormat): void;
-    export(format?: MoleculeDataFormat): any;
-    toSVG(options: SvgExportOptions): JSX.Element;
+    load(data: unknown, format?: MoleculeDataFormat): void;
+    export(format?: MoleculeDataFormat): IMoleculeState;
+    toSVG(options: SvgExportOptions): React.JSX.Element;
 }
+//# sourceMappingURL=molecule.d.ts.map

package/dist/molecule.d.ts.map

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

@@ -1,15 +1,27 @@
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-/*
-object-assign
-(c) Sindre Sorhus
-@license MIT
-*/var n=Object.getOwnPropertySymbols,t=Object.prototype.hasOwnProperty,s=Object.prototype.propertyIsEnumerable;function a(o){if(null==o)throw new TypeError("Object.assign cannot be called with null or undefined");return Object(o)}o.exports=function(){try{if(!Object.assign)return!1;var o=new String("abc");if(o[5]="de","5"===Object.getOwnPropertyNames(o)[0])return!1;for(var e={},r=0;r<10;r++)e["_"+String.fromCharCode(r)]=r;if("0123456789"!==Object.getOwnPropertyNames(e).map((function(o){return e[o]})).join(""))return!1;var n={};return"abcdefghijklmnopqrst".split("").forEach((function(o){n[o]=o})),"abcdefghijklmnopqrst"===Object.keys(Object.assign({},n)).join("")}catch(o){return!1}}()?Object.assign:function(o,e){for(var r,l,i=a(o),c=1;c<arguments.length;c++){for(var u in r=Object(arguments[c]))t.call(r,u)&&(i[u]=r[u]);if(n){l=n(r);for(var m=0;m<l.length;m++)s.call(r,l[m])&&(i[l[m]]=r[l[m]])}}return i}}])}));
+import { legacy_createStore as createStore } from 'redux';
+import { MoleculeDataFormat } from './models';
+import { exportMolecule, exportToSVG, loadMolecule, reducer } from './store';
+export class Molecule {
+    constructor() {
+        this.store = createStore(reducer);
+    }
+    get state() {
+        return this.store.getState();
+    }
+    getAtomCount() {
+        return Object.keys(this.state.atoms).length;
+    }
+    getBondCount() {
+        return Object.keys(this.state.bonds).length;
+    }
+    load(data, format = MoleculeDataFormat.jnmol) {
+        this.store.dispatch(loadMolecule(data, format));
+    }
+    export(format = MoleculeDataFormat.jnmol) {
+        return exportMolecule(this.state, format);
+    }
+    toSVG(options) {
+        return exportToSVG(this.state, options);
+    }
+}
 //# sourceMappingURL=molecule.js.map

package/dist/molecule.js.map

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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 = 4);\n","export enum MoleculeDataFormat {\n    jmol = \"jmol\",\n    jnmol = \"jnmol\",\n}\n\nexport enum displayLabelsType {\n    dispalyAllLabels = \"dispalyAllLabels\",\n    hideAllCarbonLabels = \"hideAllCarbonLabels\",\n    hideNonTerminalCarbonLabels = \"hideNonTerminalCarbonLabels\",\n}\n\nexport interface SvgExportOptions {\n    colorElements?: boolean;\n    bondLength?: number;\n    bondWidth?: number;\n    bondSpacing?: number;\n    bondShorerning?: number;\n    fontFamily?: string;\n    fontSize?: number;\n    displayHydrogens?: boolean;\n    displayLabels?: displayLabelsType;\n}\n\nexport const defaultSvgOptions: SvgExportOptions  = {\n    colorElements: true,\n    bondLength: 40,\n    bondWidth: 1,\n    bondSpacing: 0.08,\n    bondShorerning: 0,\n    fontFamily: \"Helvetica, Arial, sans-serif\",\n    fontSize: 14,\n    displayHydrogens: false,\n    displayLabels: displayLabelsType.hideNonTerminalCarbonLabels,\n};\n","/* global window */\nimport ponyfill from './ponyfill.js';\n\nvar root;\n\nif (typeof self !== 'undefined') {\n  root = self;\n} else if (typeof window !== 'undefined') {\n  root = window;\n} else if (typeof global !== 'undefined') {\n  root = global;\n} else if (typeof module !== 'undefined') {\n  root = module;\n} else {\n  root = Function('return this')();\n}\n\nvar result = ponyfill(root);\nexport default result;\n","export enum ActionTypes {\n    MOLECULE_LOAD = \"@molecule/LOAD\",\n}\n","export default function symbolObservablePonyfill(root) {\n\tvar result;\n\tvar Symbol = root.Symbol;\n\n\tif (typeof Symbol === 'function') {\n\t\tif (Symbol.observable) {\n\t\t\tresult = Symbol.observable;\n\t\t} else {\n\t\t\tresult = Symbol('observable');\n\t\t\tSymbol.observable = result;\n\t\t}\n\t} else {\n\t\tresult = '@@observable';\n\t}\n\n\treturn result;\n};\n","export * from \"./molecule\";\nexport * from \"./models\";\n","import { JNMol } from \"@chemistry/common\";\nimport { createStore } from \"redux\";\nimport { MoleculeDataFormat } from \"./models\";\nimport { SvgExportOptions } from \"./models\";\nimport {\n    exportMolecule,\n    exportToSVG,\n    IMoleculeState,\n    loadMolecule,\n    reducer,\n} from \"./store\";\n\nexport class Molecule {\n    private store = createStore(reducer);\n\n    private get state(): IMoleculeState {\n        return this.store.getState();\n    }\n\n    public getAtomCount(): number {\n        return Object.keys(this.state.atoms).length;\n    }\n\n    public getBondCount(): number {\n        return Object.keys(this.state.bonds).length;\n    }\n\n    public load(data: any, format: MoleculeDataFormat = MoleculeDataFormat.jnmol) {\n        this.store.dispatch(loadMolecule(data, format));\n    }\n\n    public export(format: MoleculeDataFormat = MoleculeDataFormat.jnmol): any {\n        return exportMolecule(this.state, format);\n    }\n\n    public toSVG(options: SvgExportOptions): JSX.Element {\n        return exportToSVG(this.state, options);\n    }\n}\n","import $$observable from 'symbol-observable';\n\n/**\n * These are private action types reserved by Redux.\n * For any unknown actions, you must return the current state.\n * If the current state is undefined, you must return the initial state.\n * Do not reference these action types directly in your code.\n */\nvar randomString = function randomString() {\n  return Math.random().toString(36).substring(7).split('').join('.');\n};\n\nvar ActionTypes = {\n  INIT: \"@@redux/INIT\" + randomString(),\n  REPLACE: \"@@redux/REPLACE\" + randomString(),\n  PROBE_UNKNOWN_ACTION: function PROBE_UNKNOWN_ACTION() {\n    return \"@@redux/PROBE_UNKNOWN_ACTION\" + randomString();\n  }\n};\n\n/**\n * @param {any} obj The object to inspect.\n * @returns {boolean} True if the argument appears to be a plain object.\n */\nfunction isPlainObject(obj) {\n  if (typeof obj !== 'object' || obj === null) return false;\n  var proto = obj;\n\n  while (Object.getPrototypeOf(proto) !== null) {\n    proto = Object.getPrototypeOf(proto);\n  }\n\n  return Object.getPrototypeOf(obj) === proto;\n}\n\n/**\n * Creates a Redux store that holds the state tree.\n * The only way to change the data in the store is to call `dispatch()` on it.\n *\n * There should only be a single store in your app. To specify how different\n * parts of the state tree respond to actions, you may combine several reducers\n * into a single reducer function by using `combineReducers`.\n *\n * @param {Function} reducer A function that returns the next state tree, given\n * the current state tree and the action to handle.\n *\n * @param {any} [preloadedState] The initial state. You may optionally specify it\n * to hydrate the state from the server in universal apps, or to restore a\n * previously serialized user session.\n * If you use `combineReducers` to produce the root reducer function, this must be\n * an object with the same shape as `combineReducers` keys.\n *\n * @param {Function} [enhancer] The store enhancer. You may optionally specify it\n * to enhance the store with third-party capabilities such as middleware,\n * time travel, persistence, etc. The only store enhancer that ships with Redux\n * is `applyMiddleware()`.\n *\n * @returns {Store} A Redux store that lets you read the state, dispatch actions\n * and subscribe to changes.\n */\n\nfunction createStore(reducer, preloadedState, enhancer) {\n  var _ref2;\n\n  if (typeof preloadedState === 'function' && typeof enhancer === 'function' || typeof enhancer === 'function' && typeof arguments[3] === 'function') {\n    throw new Error('It looks like you are passing several store enhancers to ' + 'createStore(). This is not supported. Instead, compose them ' + 'together to a single function');\n  }\n\n  if (typeof preloadedState === 'function' && typeof enhancer === 'undefined') {\n    enhancer = preloadedState;\n    preloadedState = undefined;\n  }\n\n  if (typeof enhancer !== 'undefined') {\n    if (typeof enhancer !== 'function') {\n      throw new Error('Expected the enhancer to be a function.');\n    }\n\n    return enhancer(createStore)(reducer, preloadedState);\n  }\n\n  if (typeof reducer !== 'function') {\n    throw new Error('Expected the reducer to be a function.');\n  }\n\n  var currentReducer = reducer;\n  var currentState = preloadedState;\n  var currentListeners = [];\n  var nextListeners = currentListeners;\n  var isDispatching = false;\n\n  function ensureCanMutateNextListeners() {\n    if (nextListeners === currentListeners) {\n      nextListeners = currentListeners.slice();\n    }\n  }\n  /**\n   * Reads the state tree managed by the store.\n   *\n   * @returns {any} The current state tree of your application.\n   */\n\n\n  function getState() {\n    if (isDispatching) {\n      throw new Error('You may not call store.getState() while the reducer is executing. ' + 'The reducer has already received the state as an argument. ' + 'Pass it down from the top reducer instead of reading it from the store.');\n    }\n\n    return currentState;\n  }\n  /**\n   * Adds a change listener. It will be called any time an action is dispatched,\n   * and some part of the state tree may potentially have changed. You may then\n   * call `getState()` to read the current state tree inside the callback.\n   *\n   * You may call `dispatch()` from a change listener, with the following\n   * caveats:\n   *\n   * 1. The subscriptions are snapshotted just before every `dispatch()` call.\n   * If you subscribe or unsubscribe while the listeners are being invoked, this\n   * will not have any effect on the `dispatch()` that is currently in progress.\n   * However, the next `dispatch()` call, whether nested or not, will use a more\n   * recent snapshot of the subscription list.\n   *\n   * 2. The listener should not expect to see all state changes, as the state\n   * might have been updated multiple times during a nested `dispatch()` before\n   * the listener is called. It is, however, guaranteed that all subscribers\n   * registered before the `dispatch()` started will be called with the latest\n   * state by the time it exits.\n   *\n   * @param {Function} listener A callback to be invoked on every dispatch.\n   * @returns {Function} A function to remove this change listener.\n   */\n\n\n  function subscribe(listener) {\n    if (typeof listener !== 'function') {\n      throw new Error('Expected the listener to be a function.');\n    }\n\n    if (isDispatching) {\n      throw new Error('You may not call store.subscribe() while the reducer is executing. ' + 'If you would like to be notified after the store has been updated, subscribe from a ' + 'component and invoke store.getState() in the callback to access the latest state. ' + 'See https://redux.js.org/api-reference/store#subscribe(listener) for more details.');\n    }\n\n    var isSubscribed = true;\n    ensureCanMutateNextListeners();\n    nextListeners.push(listener);\n    return function unsubscribe() {\n      if (!isSubscribed) {\n        return;\n      }\n\n      if (isDispatching) {\n        throw new Error('You may not unsubscribe from a store listener while the reducer is executing. ' + 'See https://redux.js.org/api-reference/store#subscribe(listener) for more details.');\n      }\n\n      isSubscribed = false;\n      ensureCanMutateNextListeners();\n      var index = nextListeners.indexOf(listener);\n      nextListeners.splice(index, 1);\n    };\n  }\n  /**\n   * Dispatches an action. It is the only way to trigger a state change.\n   *\n   * The `reducer` function, used to create the store, will be called with the\n   * current state tree and the given `action`. Its return value will\n   * be considered the **next** state of the tree, and the change listeners\n   * will be notified.\n   *\n   * The base implementation only supports plain object actions. If you want to\n   * dispatch a Promise, an Observable, a thunk, or something else, you need to\n   * wrap your store creating function into the corresponding middleware. For\n   * example, see the documentation for the `redux-thunk` package. Even the\n   * middleware will eventually dispatch plain object actions using this method.\n   *\n   * @param {Object} action A plain object representing “what changed”. It is\n   * a good idea to keep actions serializable so you can record and replay user\n   * sessions, or use the time travelling `redux-devtools`. An action must have\n   * a `type` property which may not be `undefined`. It is a good idea to use\n   * string constants for action types.\n   *\n   * @returns {Object} For convenience, the same action object you dispatched.\n   *\n   * Note that, if you use a custom middleware, it may wrap `dispatch()` to\n   * return something else (for example, a Promise you can await).\n   */\n\n\n  function dispatch(action) {\n    if (!isPlainObject(action)) {\n      throw new Error('Actions must be plain objects. ' + 'Use custom middleware for async actions.');\n    }\n\n    if (typeof action.type === 'undefined') {\n      throw new Error('Actions may not have an undefined \"type\" property. ' + 'Have you misspelled a constant?');\n    }\n\n    if (isDispatching) {\n      throw new Error('Reducers may not dispatch actions.');\n    }\n\n    try {\n      isDispatching = true;\n      currentState = currentReducer(currentState, action);\n    } finally {\n      isDispatching = false;\n    }\n\n    var listeners = currentListeners = nextListeners;\n\n    for (var i = 0; i < listeners.length; i++) {\n      var listener = listeners[i];\n      listener();\n    }\n\n    return action;\n  }\n  /**\n   * Replaces the reducer currently used by the store to calculate the state.\n   *\n   * You might need this if your app implements code splitting and you want to\n   * load some of the reducers dynamically. You might also need this if you\n   * implement a hot reloading mechanism for Redux.\n   *\n   * @param {Function} nextReducer The reducer for the store to use instead.\n   * @returns {void}\n   */\n\n\n  function replaceReducer(nextReducer) {\n    if (typeof nextReducer !== 'function') {\n      throw new Error('Expected the nextReducer to be a function.');\n    }\n\n    currentReducer = nextReducer;\n    dispatch({\n      type: ActionTypes.REPLACE\n    });\n  }\n  /**\n   * Interoperability point for observable/reactive libraries.\n   * @returns {observable} A minimal observable of state changes.\n   * For more information, see the observable proposal:\n   * https://github.com/tc39/proposal-observable\n   */\n\n\n  function observable() {\n    var _ref;\n\n    var outerSubscribe = subscribe;\n    return _ref = {\n      /**\n       * The minimal observable subscription method.\n       * @param {Object} observer Any object that can be used as an observer.\n       * The observer object should have a `next` method.\n       * @returns {subscription} An object with an `unsubscribe` method that can\n       * be used to unsubscribe the observable from the store, and prevent further\n       * emission of values from the observable.\n       */\n      subscribe: function subscribe(observer) {\n        if (typeof observer !== 'object' || observer === null) {\n          throw new TypeError('Expected the observer to be an object.');\n        }\n\n        function observeState() {\n          if (observer.next) {\n            observer.next(getState());\n          }\n        }\n\n        observeState();\n        var unsubscribe = outerSubscribe(observeState);\n        return {\n          unsubscribe: unsubscribe\n        };\n      }\n    }, _ref[$$observable] = function () {\n      return this;\n    }, _ref;\n  } // When a store is created, an \"INIT\" action is dispatched so that every\n  // reducer returns their initial state. This effectively populates\n  // the initial state tree.\n\n\n  dispatch({\n    type: ActionTypes.INIT\n  });\n  return _ref2 = {\n    dispatch: dispatch,\n    subscribe: subscribe,\n    getState: getState,\n    replaceReducer: replaceReducer\n  }, _ref2[$$observable] = observable, _ref2;\n}\n\n/**\n * Prints a warning in the console if it exists.\n *\n * @param {String} message The warning message.\n * @returns {void}\n */\nfunction warning(message) {\n  /* eslint-disable no-console */\n  if (typeof console !== 'undefined' && typeof console.error === 'function') {\n    console.error(message);\n  }\n  /* eslint-enable no-console */\n\n\n  try {\n    // This error was thrown as a convenience so that if you enable\n    // \"break on all exceptions\" in your console,\n    // it would pause the execution at this line.\n    throw new Error(message);\n  } catch (e) {} // eslint-disable-line no-empty\n\n}\n\nfunction getUndefinedStateErrorMessage(key, action) {\n  var actionType = action && action.type;\n  var actionDescription = actionType && \"action \\\"\" + String(actionType) + \"\\\"\" || 'an action';\n  return \"Given \" + actionDescription + \", reducer \\\"\" + key + \"\\\" returned undefined. \" + \"To ignore an action, you must explicitly return the previous state. \" + \"If you want this reducer to hold no value, you can return null instead of undefined.\";\n}\n\nfunction getUnexpectedStateShapeWarningMessage(inputState, reducers, action, unexpectedKeyCache) {\n  var reducerKeys = Object.keys(reducers);\n  var argumentName = action && action.type === ActionTypes.INIT ? 'preloadedState argument passed to createStore' : 'previous state received by the reducer';\n\n  if (reducerKeys.length === 0) {\n    return 'Store does not have a valid reducer. Make sure the argument passed ' + 'to combineReducers is an object whose values are reducers.';\n  }\n\n  if (!isPlainObject(inputState)) {\n    return \"The \" + argumentName + \" has unexpected type of \\\"\" + {}.toString.call(inputState).match(/\\s([a-z|A-Z]+)/)[1] + \"\\\". Expected argument to be an object with the following \" + (\"keys: \\\"\" + reducerKeys.join('\", \"') + \"\\\"\");\n  }\n\n  var unexpectedKeys = Object.keys(inputState).filter(function (key) {\n    return !reducers.hasOwnProperty(key) && !unexpectedKeyCache[key];\n  });\n  unexpectedKeys.forEach(function (key) {\n    unexpectedKeyCache[key] = true;\n  });\n  if (action && action.type === ActionTypes.REPLACE) return;\n\n  if (unexpectedKeys.length > 0) {\n    return \"Unexpected \" + (unexpectedKeys.length > 1 ? 'keys' : 'key') + \" \" + (\"\\\"\" + unexpectedKeys.join('\", \"') + \"\\\" found in \" + argumentName + \". \") + \"Expected to find one of the known reducer keys instead: \" + (\"\\\"\" + reducerKeys.join('\", \"') + \"\\\". Unexpected keys will be ignored.\");\n  }\n}\n\nfunction assertReducerShape(reducers) {\n  Object.keys(reducers).forEach(function (key) {\n    var reducer = reducers[key];\n    var initialState = reducer(undefined, {\n      type: ActionTypes.INIT\n    });\n\n    if (typeof initialState === 'undefined') {\n      throw new Error(\"Reducer \\\"\" + key + \"\\\" returned undefined during initialization. \" + \"If the state passed to the reducer is undefined, you must \" + \"explicitly return the initial state. The initial state may \" + \"not be undefined. If you don't want to set a value for this reducer, \" + \"you can use null instead of undefined.\");\n    }\n\n    if (typeof reducer(undefined, {\n      type: ActionTypes.PROBE_UNKNOWN_ACTION()\n    }) === 'undefined') {\n      throw new Error(\"Reducer \\\"\" + key + \"\\\" returned undefined when probed with a random type. \" + (\"Don't try to handle \" + ActionTypes.INIT + \" or other actions in \\\"redux/*\\\" \") + \"namespace. They are considered private. Instead, you must return the \" + \"current state for any unknown actions, unless it is undefined, \" + \"in which case you must return the initial state, regardless of the \" + \"action type. The initial state may not be undefined, but can be null.\");\n    }\n  });\n}\n/**\n * Turns an object whose values are different reducer functions, into a single\n * reducer function. It will call every child reducer, and gather their results\n * into a single state object, whose keys correspond to the keys of the passed\n * reducer functions.\n *\n * @param {Object} reducers An object whose values correspond to different\n * reducer functions that need to be combined into one. One handy way to obtain\n * it is to use ES6 `import * as reducers` syntax. The reducers may never return\n * undefined for any action. Instead, they should return their initial state\n * if the state passed to them was undefined, and the current state for any\n * unrecognized action.\n *\n * @returns {Function} A reducer function that invokes every reducer inside the\n * passed object, and builds a state object with the same shape.\n */\n\n\nfunction combineReducers(reducers) {\n  var reducerKeys = Object.keys(reducers);\n  var finalReducers = {};\n\n  for (var i = 0; i < reducerKeys.length; i++) {\n    var key = reducerKeys[i];\n\n    if (process.env.NODE_ENV !== 'production') {\n      if (typeof reducers[key] === 'undefined') {\n        warning(\"No reducer provided for key \\\"\" + key + \"\\\"\");\n      }\n    }\n\n    if (typeof reducers[key] === 'function') {\n      finalReducers[key] = reducers[key];\n    }\n  }\n\n  var finalReducerKeys = Object.keys(finalReducers);\n  var unexpectedKeyCache;\n\n  if (process.env.NODE_ENV !== 'production') {\n    unexpectedKeyCache = {};\n  }\n\n  var shapeAssertionError;\n\n  try {\n    assertReducerShape(finalReducers);\n  } catch (e) {\n    shapeAssertionError = e;\n  }\n\n  return function combination(state, action) {\n    if (state === void 0) {\n      state = {};\n    }\n\n    if (shapeAssertionError) {\n      throw shapeAssertionError;\n    }\n\n    if (process.env.NODE_ENV !== 'production') {\n      var warningMessage = getUnexpectedStateShapeWarningMessage(state, finalReducers, action, unexpectedKeyCache);\n\n      if (warningMessage) {\n        warning(warningMessage);\n      }\n    }\n\n    var hasChanged = false;\n    var nextState = {};\n\n    for (var _i = 0; _i < finalReducerKeys.length; _i++) {\n      var _key = finalReducerKeys[_i];\n      var reducer = finalReducers[_key];\n      var previousStateForKey = state[_key];\n      var nextStateForKey = reducer(previousStateForKey, action);\n\n      if (typeof nextStateForKey === 'undefined') {\n        var errorMessage = getUndefinedStateErrorMessage(_key, action);\n        throw new Error(errorMessage);\n      }\n\n      nextState[_key] = nextStateForKey;\n      hasChanged = hasChanged || nextStateForKey !== previousStateForKey;\n    }\n\n    return hasChanged ? nextState : state;\n  };\n}\n\nfunction bindActionCreator(actionCreator, dispatch) {\n  return function () {\n    return dispatch(actionCreator.apply(this, arguments));\n  };\n}\n/**\n * Turns an object whose values are action creators, into an object with the\n * same keys, but with every function wrapped into a `dispatch` call so they\n * may be invoked directly. This is just a convenience method, as you can call\n * `store.dispatch(MyActionCreators.doSomething())` yourself just fine.\n *\n * For convenience, you can also pass a single function as the first argument,\n * and get a function in return.\n *\n * @param {Function|Object} actionCreators An object whose values are action\n * creator functions. One handy way to obtain it is to use ES6 `import * as`\n * syntax. You may also pass a single function.\n *\n * @param {Function} dispatch The `dispatch` function available on your Redux\n * store.\n *\n * @returns {Function|Object} The object mimicking the original object, but with\n * every action creator wrapped into the `dispatch` call. If you passed a\n * function as `actionCreators`, the return value will also be a single\n * function.\n */\n\n\nfunction bindActionCreators(actionCreators, dispatch) {\n  if (typeof actionCreators === 'function') {\n    return bindActionCreator(actionCreators, dispatch);\n  }\n\n  if (typeof actionCreators !== 'object' || actionCreators === null) {\n    throw new Error(\"bindActionCreators expected an object or a function, instead received \" + (actionCreators === null ? 'null' : typeof actionCreators) + \". \" + \"Did you write \\\"import ActionCreators from\\\" instead of \\\"import * as ActionCreators from\\\"?\");\n  }\n\n  var keys = Object.keys(actionCreators);\n  var boundActionCreators = {};\n\n  for (var i = 0; i < keys.length; i++) {\n    var key = keys[i];\n    var actionCreator = actionCreators[key];\n\n    if (typeof actionCreator === 'function') {\n      boundActionCreators[key] = bindActionCreator(actionCreator, dispatch);\n    }\n  }\n\n  return boundActionCreators;\n}\n\nfunction _defineProperty(obj, key, value) {\n  if (key in obj) {\n    Object.defineProperty(obj, key, {\n      value: value,\n      enumerable: true,\n      configurable: true,\n      writable: true\n    });\n  } else {\n    obj[key] = value;\n  }\n\n  return obj;\n}\n\nfunction _objectSpread(target) {\n  for (var i = 1; i < arguments.length; i++) {\n    var source = arguments[i] != null ? arguments[i] : {};\n    var ownKeys = Object.keys(source);\n\n    if (typeof Object.getOwnPropertySymbols === 'function') {\n      ownKeys = ownKeys.concat(Object.getOwnPropertySymbols(source).filter(function (sym) {\n        return Object.getOwnPropertyDescriptor(source, sym).enumerable;\n      }));\n    }\n\n    ownKeys.forEach(function (key) {\n      _defineProperty(target, key, source[key]);\n    });\n  }\n\n  return target;\n}\n\n/**\n * Composes single-argument functions from right to left. The rightmost\n * function can take multiple arguments as it provides the signature for\n * the resulting composite function.\n *\n * @param {...Function} funcs The functions to compose.\n * @returns {Function} A function obtained by composing the argument functions\n * from right to left. For example, compose(f, g, h) is identical to doing\n * (...args) => f(g(h(...args))).\n */\nfunction compose() {\n  for (var _len = arguments.length, funcs = new Array(_len), _key = 0; _key < _len; _key++) {\n    funcs[_key] = arguments[_key];\n  }\n\n  if (funcs.length === 0) {\n    return function (arg) {\n      return arg;\n    };\n  }\n\n  if (funcs.length === 1) {\n    return funcs[0];\n  }\n\n  return funcs.reduce(function (a, b) {\n    return function () {\n      return a(b.apply(void 0, arguments));\n    };\n  });\n}\n\n/**\n * Creates a store enhancer that applies middleware to the dispatch method\n * of the Redux store. This is handy for a variety of tasks, such as expressing\n * asynchronous actions in a concise manner, or logging every action payload.\n *\n * See `redux-thunk` package as an example of the Redux middleware.\n *\n * Because middleware is potentially asynchronous, this should be the first\n * store enhancer in the composition chain.\n *\n * Note that each middleware will be given the `dispatch` and `getState` functions\n * as named arguments.\n *\n * @param {...Function} middlewares The middleware chain to be applied.\n * @returns {Function} A store enhancer applying the middleware.\n */\n\nfunction applyMiddleware() {\n  for (var _len = arguments.length, middlewares = new Array(_len), _key = 0; _key < _len; _key++) {\n    middlewares[_key] = arguments[_key];\n  }\n\n  return function (createStore) {\n    return function () {\n      var store = createStore.apply(void 0, arguments);\n\n      var _dispatch = function dispatch() {\n        throw new Error(\"Dispatching while constructing your middleware is not allowed. \" + \"Other middleware would not be applied to this dispatch.\");\n      };\n\n      var middlewareAPI = {\n        getState: store.getState,\n        dispatch: function dispatch() {\n          return _dispatch.apply(void 0, arguments);\n        }\n      };\n      var chain = middlewares.map(function (middleware) {\n        return middleware(middlewareAPI);\n      });\n      _dispatch = compose.apply(void 0, chain)(store.dispatch);\n      return _objectSpread({}, store, {\n        dispatch: _dispatch\n      });\n    };\n  };\n}\n\n/*\n * This is a dummy function to check if the function name has been altered by minification.\n * If the function has been minified and NODE_ENV !== 'production', warn the user.\n */\n\nfunction isCrushed() {}\n\nif (process.env.NODE_ENV !== 'production' && typeof isCrushed.name === 'string' && isCrushed.name !== 'isCrushed') {\n  warning('You are currently using minified code outside of NODE_ENV === \"production\". ' + 'This means that you are running a slower development build of Redux. ' + 'You can use loose-envify (https://github.com/zertosh/loose-envify) for browserify ' + 'or setting mode to production in webpack (https://webpack.js.org/concepts/mode/) ' + 'to ensure you have the correct code for your production build.');\n}\n\nexport { createStore, combineReducers, bindActionCreators, applyMiddleware, compose, ActionTypes as __DO_NOT_USE__ActionTypes };\n","var g;\n\n// This works in non-strict mode\ng = (function() {\n\treturn this;\n})();\n\ntry {\n\t// This works if eval is allowed (see CSP)\n\tg = g || new Function(\"return this\")();\n} catch (e) {\n\t// This works if the window reference is available\n\tif (typeof window === \"object\") g = window;\n}\n\n// g can still be undefined, but nothing to do about it...\n// We return undefined, instead of nothing here, so it's\n// easier to handle this case. if(!global) { ...}\n\nmodule.exports = g;\n","module.exports = function(originalModule) {\n\tif (!originalModule.webpackPolyfill) {\n\t\tvar module = Object.create(originalModule);\n\t\t// module.parent = undefined by default\n\t\tif (!module.children) module.children = [];\n\t\tObject.defineProperty(module, \"loaded\", {\n\t\t\tenumerable: true,\n\t\t\tget: function() {\n\t\t\t\treturn module.l;\n\t\t\t}\n\t\t});\n\t\tObject.defineProperty(module, \"id\", {\n\t\t\tenumerable: true,\n\t\t\tget: function() {\n\t\t\t\treturn module.i;\n\t\t\t}\n\t\t});\n\t\tObject.defineProperty(module, \"exports\", {\n\t\t\tenumerable: true\n\t\t});\n\t\tmodule.webpackPolyfill = 1;\n\t}\n\treturn module;\n};\n","export * from \"./reducer\";\nexport * from \"./actions\";\nexport * from \"./selectors\";\n","import { JNMol } from \"@chemistry/common\";\nimport { Action, AnyAction, combineReducers, Dispatch, Reducer } from \"redux\";\nimport { MoleculeDataFormat } from \"../models\";\nimport { MoleculeAction } from \"./actions\";\nimport { ActionTypes } from \"./constants\";\nimport { isValidJnmol } from \"./helpers\";\n\nexport interface IMoleculeState extends JNMol {\n    id: string;\n    title: string;\n    atoms: {\n        [id: string]: { x: number; y: number; z: number; type: string; },\n    };\n    bonds: {\n        [id: string]: { atom1: string; atom2: string; order: number; },\n    };\n}\n\nconst initialState = {\n    id: \"\",\n    title: \"\",\n    atoms: {},\n    bonds: {},\n};\n\nexport const reducer: Reducer<IMoleculeState> = (state = initialState, action: MoleculeAction) => {\n\n    switch (action.type) {\n        case ActionTypes.MOLECULE_LOAD:\n            const { data, format} = action.payload;\n            if (format === MoleculeDataFormat.jnmol) {\n                if (isValidJnmol(data)) {\n                    return data;\n                }\n                throw new Error(\"incorrect data JNMOL format\");\n            }\n            throw new Error(format + \" is not supported\");\n\n        default:\n          return state;\n    }\n};\n","export * from \"./molecule-io-helpers\";\n","export function isValidJnmol(data: any): boolean {\n    if (\n      !data || typeof data !== \"object\" ||\n      !data.atoms || !data.bonds ||\n      typeof data.id !== \"string\" ||\n      typeof data.title !== \"string\"\n    )  {\n       return false;\n    }\n\n    return true;\n}\n","import { MoleculeDataFormat } from \"../models\";\nimport { ActionTypes } from \"./constants\";\n\nexport function loadMolecule(data: any, format: MoleculeDataFormat): LoadAction {\n    return {\n        type: ActionTypes.MOLECULE_LOAD,\n        payload: { data, format },\n    };\n}\n\nexport interface LoadAction { type: ActionTypes.MOLECULE_LOAD; payload: { data: any, format: MoleculeDataFormat }; }\n\nexport type MoleculeAction = LoadAction; /* | Other Action */\n","import { JNMol } from \"@chemistry/common\";\nimport { defaultSvgOptions, SvgExportOptions } from \"../models\";\nimport {\n    IMoleculeState,\n} from \"./reducer\";\nimport {\n    exportMoleculeToSVG,\n    getDefaultMoleculeCamera,\n    projectMolecule,\n} from \"./services\";\n\nexport const exportMolecule = (molecule: IMoleculeState, format: string): any => {\n    return molecule;\n};\n\nexport const exportToSVG = (molecule: IMoleculeState, drawOptions: SvgExportOptions): JSX.Element => {\n    const options = {\n        ...defaultSvgOptions,\n        ...drawOptions,\n    };\n    const camera = getDefaultMoleculeCamera();\n    const mol = projectMolecule({ molecule , camera });\n    return exportMoleculeToSVG({ molecule: mol, options });\n };\n","export * from \"./projection.service\";\nexport * from \"./export-to-svg.service\";\n","import {\n    IMoleculeState,\n} from \"../reducer\";\n\ninterface AtomModel {\n    x: number;\n    y: number;\n    z: number;\n    type: string;\n}\n\nexport interface ProjectInfo {\n    scale: number;\n    translation: {\n        x: number;\n        y: number;\n    };\n}\n\nfunction projectAtom({\n    atom,\n    camera,\n}: {\n    atom: AtomModel\n    camera: ProjectInfo,\n}): AtomModel {\n    const { x, y, z, type } = atom;\n    return {\n        x: x * camera.scale + camera.translation.x,\n        y: y * camera.scale + camera.translation.y,\n        z: z * camera.scale,\n        type,\n    };\n}\n\nexport function projectMolecule({ molecule , camera }: {\n    molecule: IMoleculeState, camera: ProjectInfo,\n}): IMoleculeState {\n    const newAtoms = Object.keys(molecule.atoms).reduce((acc, atomId) => {\n        const atom = molecule.atoms[atomId];\n        return {\n            ...acc,\n            [atomId]: projectAtom({ atom, camera }),\n        };\n    }, {});\n\n    return {\n        ...molecule,\n        atoms: {\n            ...newAtoms,\n        },\n    };\n}\n\nexport function getDefaultMoleculeCamera(): ProjectInfo {\n    return {\n        scale: 40,\n        translation: {\n            x: 150,\n            y: 50,\n        },\n    };\n}\n","import { ChemElements } from \"@chemistry/elements\";\nimport * as React from \"react\";\nimport { SvgExportOptions } from \"../../models\";\nimport {\n    IMoleculeState,\n} from \"../reducer\";\n\nfunction getAtomsSVG(molecule: IMoleculeState, options: SvgExportOptions): JSX.Element {\n    const atomsView = Object.keys(molecule.atoms).map((atomId: string) => {\n        const atom = molecule.atoms[atomId];\n        const { x, y, type } =  atom;\n        const color = getAtomColor(type, options);\n\n        return (<text\n          key={atomId}\n          x={x}\n          y={y}\n          fill={color}\n          textAnchor=\"middle\"\n          alignmentBaseline=\"middle\"\n        >{type}</text>);\n    });\n    return (<g>{atomsView}</g>);\n}\n\nfunction getAtomColor(atomType: string, options: SvgExportOptions) {\n    if (!options.colorElements) {\n        return \"black\";\n    }\n    const chemElementData = ChemElements.getBySymbol(atomType);\n    return chemElementData ? chemElementData.color2 : \"black\";\n}\n\nfunction getSVGStyles(drawOptions: SvgExportOptions): JSX.Element {\n    const textStyle = `\n        .c-molsvg text {\n            font-size: ${drawOptions.fontSize};\n            line-height: ${drawOptions.fontSize};\n            font-weight: normal;\n            font-family: ${drawOptions.fontFamily};\n        }\n    `;\n    return (\n        <style>{textStyle}</style>\n    );\n}\n\nexport const exportMoleculeToSVG = ({\n  molecule, options,\n}: { molecule: IMoleculeState, options: SvgExportOptions }): JSX.Element => {\n    return (\n        <svg className=\"c-molsvg\">\n            { getSVGStyles(options) }\n            { getAtomsSVG(molecule, options) }\n        </svg>\n    );\n};\n","!function(o,s){\"object\"==typeof exports&&\"object\"==typeof module?module.exports=s():\"function\"==typeof define&&define.amd?define(\"chem-elements\",[],s):\"object\"==typeof exports?exports[\"chem-elements\"]=s():o[\"chem-elements\"]=s()}(\"undefined\"!=typeof self?self:this,function(){return function(o){var s={};function m(l){if(s[l])return s[l].exports;var 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package/dist/store/actions.d.ts

@@ -1,11 +1,13 @@
-import { MoleculeDataFormat } from "../models";
-import { ActionTypes } from "./constants";
-export declare function loadMolecule(data: any, format: MoleculeDataFormat): LoadAction;
+import type { MoleculeDataFormat } from '../models';
+import { ActionTypes } from './constants';
+export declare function loadMolecule(data: unknown, format: MoleculeDataFormat): LoadAction;
 export interface LoadAction {
     type: ActionTypes.MOLECULE_LOAD;
     payload: {
-        data: any;
+        data: unknown;
         format: MoleculeDataFormat;
     };
+    [key: string]: unknown;
 }
-export declare type MoleculeAction = LoadAction;
+export type MoleculeAction = LoadAction;
+//# sourceMappingURL=actions.d.ts.map

package/dist/store/actions.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"actions.d.ts","sourceRoot":"","sources":["../../src/store/actions.ts"],"names":[],"mappings":"AAAA,OAAO,KAAK,EAAE,kBAAkB,EAAE,MAAM,WAAW,CAAC;AACpD,OAAO,EAAE,WAAW,EAAE,MAAM,aAAa,CAAC;AAE1C,wBAAgB,YAAY,CAAC,IAAI,EAAE,OAAO,EAAE,MAAM,EAAE,kBAAkB,GAAG,UAAU,CAKlF;AAED,MAAM,WAAW,UAAU;IACzB,IAAI,EAAE,WAAW,CAAC,aAAa,CAAC;IAChC,OAAO,EAAE;QAAE,IAAI,EAAE,OAAO,CAAC;QAAC,MAAM,EAAE,kBAAkB,CAAA;KAAE,CAAC;IACvD,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC;CACxB;AAED,MAAM,MAAM,cAAc,GAAG,UAAU,CAAC"}

package/dist/store/actions.js

@@ -0,0 +1,8 @@
+import { ActionTypes } from './constants';
+export function loadMolecule(data, format) {
+    return {
+        type: ActionTypes.MOLECULE_LOAD,
+        payload: { data, format },
+    };
+}
+//# sourceMappingURL=actions.js.map

package/dist/store/actions.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"actions.js","sourceRoot":"","sources":["../../src/store/actions.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,WAAW,EAAE,MAAM,aAAa,CAAC;AAE1C,MAAM,UAAU,YAAY,CAAC,IAAa,EAAE,MAA0B;IACpE,OAAO;QACL,IAAI,EAAE,WAAW,CAAC,aAAa;QAC/B,OAAO,EAAE,EAAE,IAAI,EAAE,MAAM,EAAE;KAC1B,CAAC;AACJ,CAAC"}

package/dist/store/constants.d.ts

@@ -1,3 +1,4 @@
 export declare enum ActionTypes {
     MOLECULE_LOAD = "@molecule/LOAD"
 }
+//# sourceMappingURL=constants.d.ts.map

package/dist/store/constants.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"constants.d.ts","sourceRoot":"","sources":["../../src/store/constants.ts"],"names":[],"mappings":"AAAA,oBAAY,WAAW;IACrB,aAAa,mBAAmB;CACjC"}

package/dist/store/constants.js

@@ -0,0 +1,5 @@
+export var ActionTypes;
+(function (ActionTypes) {
+    ActionTypes["MOLECULE_LOAD"] = "@molecule/LOAD";
+})(ActionTypes || (ActionTypes = {}));
+//# sourceMappingURL=constants.js.map

package/dist/store/constants.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"constants.js","sourceRoot":"","sources":["../../src/store/constants.ts"],"names":[],"mappings":"AAAA,MAAM,CAAN,IAAY,WAEX;AAFD,WAAY,WAAW;IACrB,+CAAgC,CAAA;AAClC,CAAC,EAFW,WAAW,KAAX,WAAW,QAEtB"}

package/dist/store/helpers/index.d.ts

@@ -1 +1,2 @@
-export * from "./molecule-io-helpers";
+export * from './molecule-io-helpers';
+//# sourceMappingURL=index.d.ts.map

package/dist/store/helpers/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/store/helpers/index.ts"],"names":[],"mappings":"AAAA,cAAc,uBAAuB,CAAC"}

package/dist/store/helpers/index.js

@@ -0,0 +1,2 @@
+export * from './molecule-io-helpers';
+//# sourceMappingURL=index.js.map

package/dist/store/helpers/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/store/helpers/index.ts"],"names":[],"mappings":"AAAA,cAAc,uBAAuB,CAAC"}

package/dist/store/helpers/molecule-io-helpers.d.ts

@@ -1 +1,2 @@
-export declare function isValidJnmol(data: any): boolean;
+export declare function isValidJnmol(data: unknown): boolean;
+//# sourceMappingURL=molecule-io-helpers.d.ts.map

package/dist/store/helpers/molecule-io-helpers.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"molecule-io-helpers.d.ts","sourceRoot":"","sources":["../../../src/store/helpers/molecule-io-helpers.ts"],"names":[],"mappings":"AAAA,wBAAgB,YAAY,CAAC,IAAI,EAAE,OAAO,GAAG,OAAO,CAenD"}

package/dist/store/helpers/molecule-io-helpers.js

@@ -0,0 +1,14 @@
+export function isValidJnmol(data) {
+    if (!data ||
+        typeof data !== 'object' ||
+        !('atoms' in data) ||
+        !('bonds' in data) ||
+        !('id' in data) ||
+        typeof data.id !== 'string' ||
+        !('title' in data) ||
+        typeof data.title !== 'string') {
+        return false;
+    }
+    return true;
+}
+//# sourceMappingURL=molecule-io-helpers.js.map

package/dist/store/helpers/molecule-io-helpers.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"molecule-io-helpers.js","sourceRoot":"","sources":["../../../src/store/helpers/molecule-io-helpers.ts"],"names":[],"mappings":"AAAA,MAAM,UAAU,YAAY,CAAC,IAAa;IACxC,IACE,CAAC,IAAI;QACL,OAAO,IAAI,KAAK,QAAQ;QACxB,CAAC,CAAC,OAAO,IAAI,IAAI,CAAC;QAClB,CAAC,CAAC,OAAO,IAAI,IAAI,CAAC;QAClB,CAAC,CAAC,IAAI,IAAI,IAAI,CAAC;QACf,OAAQ,IAAgC,CAAC,EAAE,KAAK,QAAQ;QACxD,CAAC,CAAC,OAAO,IAAI,IAAI,CAAC;QAClB,OAAQ,IAAgC,CAAC,KAAK,KAAK,QAAQ,EAC3D,CAAC;QACD,OAAO,KAAK,CAAC;IACf,CAAC;IAED,OAAO,IAAI,CAAC;AACd,CAAC"}

package/dist/store/index.d.ts

@@ -1,3 +1,4 @@
-export * from "./reducer";
-export * from "./actions";
-export * from "./selectors";
+export * from './reducer';
+export * from './actions';
+export * from './selectors';
+//# sourceMappingURL=index.d.ts.map

package/dist/store/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../src/store/index.ts"],"names":[],"mappings":"AAAA,cAAc,WAAW,CAAC;AAC1B,cAAc,WAAW,CAAC;AAC1B,cAAc,aAAa,CAAC"}

package/dist/store/index.js

@@ -0,0 +1,4 @@
+export * from './reducer';
+export * from './actions';
+export * from './selectors';
+//# sourceMappingURL=index.js.map

package/dist/store/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../src/store/index.ts"],"names":[],"mappings":"AAAA,cAAc,WAAW,CAAC;AAC1B,cAAc,WAAW,CAAC;AAC1B,cAAc,aAAa,CAAC"}

package/dist/store/reducer.d.ts

@@ -1,5 +1,5 @@
-import { JNMol } from "@chemistry/common";
-import { Reducer } from "redux";
+import type { JNMol } from '@chemistry/common';
+import type { MoleculeAction } from './actions';
 export interface IMoleculeState extends JNMol {
     id: string;
     title: string;
@@ -19,4 +19,5 @@ export interface IMoleculeState extends JNMol {
         };
     };
 }
-export declare const reducer: Reducer<IMoleculeState>;
+export declare const reducer: (state: IMoleculeState | undefined, action: MoleculeAction) => IMoleculeState;
+//# sourceMappingURL=reducer.d.ts.map

package/dist/store/reducer.d.ts.map

@@ -0,0 +1 @@
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package/dist/store/reducer.js

@@ -0,0 +1,26 @@
+import { MoleculeDataFormat } from '../models';
+import { ActionTypes } from './constants';
+import { isValidJnmol } from './helpers';
+const initialState = {
+    id: '',
+    title: '',
+    atoms: {},
+    bonds: {},
+};
+export const reducer = (state = initialState, action) => {
+    switch (action.type) {
+        case ActionTypes.MOLECULE_LOAD: {
+            const { data, format } = action.payload;
+            if (format === MoleculeDataFormat.jnmol) {
+                if (isValidJnmol(data)) {
+                    return data;
+                }
+                throw new Error('incorrect data JNMOL format');
+            }
+            throw new Error(format + ' is not supported');
+        }
+        default:
+            return state;
+    }
+};
+//# sourceMappingURL=reducer.js.map

package/dist/store/reducer.js.map

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

@@ -1,4 +1,6 @@
-import { SvgExportOptions } from "../models";
-import { IMoleculeState } from "./reducer";
-export declare const exportMolecule: (molecule: IMoleculeState, format: string) => any;
-export declare const exportToSVG: (molecule: IMoleculeState, drawOptions: SvgExportOptions) => JSX.Element;
+import type React from 'react';
+import { type SvgExportOptions } from '../models';
+import type { IMoleculeState } from './reducer';
+export declare const exportMolecule: (molecule: IMoleculeState, _format: string) => IMoleculeState;
+export declare const exportToSVG: (molecule: IMoleculeState, drawOptions: SvgExportOptions) => React.JSX.Element;
+//# sourceMappingURL=selectors.d.ts.map

package/dist/store/selectors.d.ts.map

@@ -0,0 +1 @@
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package/dist/store/selectors.js

@@ -0,0 +1,15 @@
+import { defaultSvgOptions } from '../models';
+import { exportMoleculeToSVG, getDefaultMoleculeCamera, projectMolecule } from './services';
+export const exportMolecule = (molecule, _format) => {
+    return molecule;
+};
+export const exportToSVG = (molecule, drawOptions) => {
+    const options = {
+        ...defaultSvgOptions,
+        ...drawOptions,
+    };
+    const camera = getDefaultMoleculeCamera();
+    const mol = projectMolecule({ molecule, camera });
+    return exportMoleculeToSVG({ molecule: mol, options });
+};
+//# sourceMappingURL=selectors.js.map

package/dist/store/selectors.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"selectors.js","sourceRoot":"","sources":["../../src/store/selectors.tsx"],"names":[],"mappings":"AACA,OAAO,EAAE,iBAAiB,EAAyB,MAAM,WAAW,CAAC;AAErE,OAAO,EAAE,mBAAmB,EAAE,wBAAwB,EAAE,eAAe,EAAE,MAAM,YAAY,CAAC;AAE5F,MAAM,CAAC,MAAM,cAAc,GAAG,CAAC,QAAwB,EAAE,OAAe,EAAkB,EAAE;IAC1F,OAAO,QAAQ,CAAC;AAClB,CAAC,CAAC;AAEF,MAAM,CAAC,MAAM,WAAW,GAAG,CACzB,QAAwB,EACxB,WAA6B,EACV,EAAE;IACrB,MAAM,OAAO,GAAG;QACd,GAAG,iBAAiB;QACpB,GAAG,WAAW;KACf,CAAC;IACF,MAAM,MAAM,GAAG,wBAAwB,EAAE,CAAC;IAC1C,MAAM,GAAG,GAAG,eAAe,CAAC,EAAE,QAAQ,EAAE,MAAM,EAAE,CAAC,CAAC;IAClD,OAAO,mBAAmB,CAAC,EAAE,QAAQ,EAAE,GAAG,EAAE,OAAO,EAAE,CAAC,CAAC;AACzD,CAAC,CAAC"}

package/dist/store/services/export-to-svg.service.d.ts

@@ -1,6 +1,8 @@
-import { SvgExportOptions } from "../../models";
-import { IMoleculeState } from "../reducer";
+import type React from 'react';
+import type { SvgExportOptions } from '../../models';
+import type { IMoleculeState } from '../reducer';
 export declare const exportMoleculeToSVG: ({ molecule, options, }: {
     molecule: IMoleculeState;
     options: SvgExportOptions;
-}) => JSX.Element;
+}) => React.JSX.Element;
+//# sourceMappingURL=export-to-svg.service.d.ts.map

package/dist/store/services/export-to-svg.service.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"export-to-svg.service.d.ts","sourceRoot":"","sources":["../../../src/store/services/export-to-svg.service.tsx"],"names":[],"mappings":"AAAA,OAAO,KAAK,KAAK,MAAM,OAAO,CAAC;AAE/B,OAAO,KAAK,EAAE,gBAAgB,EAAE,MAAM,cAAc,CAAC;AACrD,OAAO,KAAK,EAAE,cAAc,EAAE,MAAM,YAAY,CAAC;AAqCjD,eAAO,MAAM,mBAAmB,GAAI,wBAGjC;IACD,QAAQ,EAAE,cAAc,CAAC;IACzB,OAAO,EAAE,gBAAgB,CAAC;CAC3B,KAAG,KAAK,CAAC,GAAG,CAAC,OAOb,CAAC"}

package/dist/store/services/export-to-svg.service.js

@@ -0,0 +1,33 @@
+import { jsx as _jsx, jsxs as _jsxs } from "react/jsx-runtime";
+import { ChemElements } from '@chemistry/elements';
+function getAtomsSVG(molecule, options) {
+    const atomsView = Object.keys(molecule.atoms).map((atomId) => {
+        const atom = molecule.atoms[atomId];
+        const { x, y, type } = atom;
+        const color = getAtomColor(type, options);
+        return (_jsx("text", { x: x, y: y, fill: color, textAnchor: "middle", alignmentBaseline: "middle", children: type }, atomId));
+    });
+    return _jsx("g", { children: atomsView });
+}
+function getAtomColor(atomType, options) {
+    if (!options.colorElements) {
+        return 'black';
+    }
+    const chemElementData = ChemElements.getBySymbol(atomType);
+    return chemElementData ? chemElementData.color2 : 'black';
+}
+function getSVGStyles(drawOptions) {
+    const textStyle = `
+        .c-molsvg text {
+            font-size: ${drawOptions.fontSize};
+            line-height: ${drawOptions.fontSize};
+            font-weight: normal;
+            font-family: ${drawOptions.fontFamily};
+        }
+    `;
+    return _jsx("style", { children: textStyle });
+}
+export const exportMoleculeToSVG = ({ molecule, options, }) => {
+    return (_jsxs("svg", { className: "c-molsvg", children: [getSVGStyles(options), getAtomsSVG(molecule, options)] }));
+};
+//# sourceMappingURL=export-to-svg.service.js.map

package/dist/store/services/export-to-svg.service.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"export-to-svg.service.js","sourceRoot":"","sources":["../../../src/store/services/export-to-svg.service.tsx"],"names":[],"mappings":";AACA,OAAO,EAAE,YAAY,EAAE,MAAM,qBAAqB,CAAC;AAInD,SAAS,WAAW,CAAC,QAAwB,EAAE,OAAyB;IACtE,MAAM,SAAS,GAAG,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,GAAG,CAAC,CAAC,MAAc,EAAE,EAAE;QACnE,MAAM,IAAI,GAAG,QAAQ,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;QACpC,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,IAAI,EAAE,GAAG,IAAI,CAAC;QAC5B,MAAM,KAAK,GAAG,YAAY,CAAC,IAAI,EAAE,OAAO,CAAC,CAAC;QAE1C,OAAO,CACL,eAAmB,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,IAAI,EAAE,KAAK,EAAE,UAAU,EAAC,QAAQ,EAAC,iBAAiB,EAAC,QAAQ,YACvF,IAAI,IADI,MAAM,CAEV,CACR,CAAC;IACJ,CAAC,CAAC,CAAC;IACH,OAAO,sBAAI,SAAS,GAAK,CAAC;AAC5B,CAAC;AAED,SAAS,YAAY,CAAC,QAAgB,EAAE,OAAyB;IAC/D,IAAI,CAAC,OAAO,CAAC,aAAa,EAAE,CAAC;QAC3B,OAAO,OAAO,CAAC;IACjB,CAAC;IACD,MAAM,eAAe,GAAG,YAAY,CAAC,WAAW,CAAC,QAAQ,CAAC,CAAC;IAC3D,OAAO,eAAe,CAAC,CAAC,CAAC,eAAe,CAAC,MAAM,CAAC,CAAC,CAAC,OAAO,CAAC;AAC5D,CAAC;AAED,SAAS,YAAY,CAAC,WAA6B;IACjD,MAAM,SAAS,GAAG;;yBAEK,WAAW,CAAC,QAAQ;2BAClB,WAAW,CAAC,QAAQ;;2BAEpB,WAAW,CAAC,UAAU;;KAE5C,CAAC;IACJ,OAAO,0BAAQ,SAAS,GAAS,CAAC;AACpC,CAAC;AAED,MAAM,CAAC,MAAM,mBAAmB,GAAG,CAAC,EAClC,QAAQ,EACR,OAAO,GAIR,EAAqB,EAAE;IACtB,OAAO,CACL,eAAK,SAAS,EAAC,UAAU,aACtB,YAAY,CAAC,OAAO,CAAC,EACrB,WAAW,CAAC,QAAQ,EAAE,OAAO,CAAC,IAC3B,CACP,CAAC;AACJ,CAAC,CAAC"}

package/dist/store/services/index.d.ts

@@ -1,2 +1,3 @@
-export * from "./projection.service";
-export * from "./export-to-svg.service";
+export * from './projection.service';
+export * from './export-to-svg.service';
+//# sourceMappingURL=index.d.ts.map

package/dist/store/services/index.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["../../../src/store/services/index.ts"],"names":[],"mappings":"AAAA,cAAc,sBAAsB,CAAC;AACrC,cAAc,yBAAyB,CAAC"}

package/dist/store/services/index.js

@@ -0,0 +1,3 @@
+export * from './projection.service';
+export * from './export-to-svg.service';
+//# sourceMappingURL=index.js.map

package/dist/store/services/index.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/store/services/index.ts"],"names":[],"mappings":"AAAA,cAAc,sBAAsB,CAAC;AACrC,cAAc,yBAAyB,CAAC"}

package/dist/store/services/projection.service.d.ts

@@ -1,4 +1,4 @@
-import { IMoleculeState } from "../reducer";
+import { IMoleculeState } from '../reducer';
 export interface ProjectInfo {
     scale: number;
     translation: {
@@ -6,8 +6,9 @@ export interface ProjectInfo {
         y: number;
     };
 }
-export declare function projectMolecule({ molecule, camera }: {
+export declare function projectMolecule({ molecule, camera, }: {
     molecule: IMoleculeState;
     camera: ProjectInfo;
 }): IMoleculeState;
 export declare function getDefaultMoleculeCamera(): ProjectInfo;
+//# sourceMappingURL=projection.service.d.ts.map

package/dist/store/services/projection.service.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"projection.service.d.ts","sourceRoot":"","sources":["../../../src/store/services/projection.service.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,cAAc,EAAE,MAAM,YAAY,CAAC;AAS5C,MAAM,WAAW,WAAW;IAC1B,KAAK,EAAE,MAAM,CAAC;IACd,WAAW,EAAE;QACX,CAAC,EAAE,MAAM,CAAC;QACV,CAAC,EAAE,MAAM,CAAC;KACX,CAAC;CACH;AAYD,wBAAgB,eAAe,CAAC,EAC9B,QAAQ,EACR,MAAM,GACP,EAAE;IACD,QAAQ,EAAE,cAAc,CAAC;IACzB,MAAM,EAAE,WAAW,CAAC;CACrB,GAAG,cAAc,CAejB;AAED,wBAAgB,wBAAwB,IAAI,WAAW,CAQtD"}

package/dist/store/services/projection.service.js

@@ -0,0 +1,34 @@
+function projectAtom({ atom, camera }) {
+    const { x, y, z, type } = atom;
+    return {
+        x: x * camera.scale + camera.translation.x,
+        y: y * camera.scale + camera.translation.y,
+        z: z * camera.scale,
+        type,
+    };
+}
+export function projectMolecule({ molecule, camera, }) {
+    const newAtoms = Object.keys(molecule.atoms).reduce((acc, atomId) => {
+        const atom = molecule.atoms[atomId];
+        return {
+            ...acc,
+            [atomId]: projectAtom({ atom, camera }),
+        };
+    }, {});
+    return {
+        ...molecule,
+        atoms: {
+            ...newAtoms,
+        },
+    };
+}
+export function getDefaultMoleculeCamera() {
+    return {
+        scale: 40,
+        translation: {
+            x: 150,
+            y: 50,
+        },
+    };
+}
+//# sourceMappingURL=projection.service.js.map

package/dist/store/services/projection.service.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"projection.service.js","sourceRoot":"","sources":["../../../src/store/services/projection.service.ts"],"names":[],"mappings":"AAiBA,SAAS,WAAW,CAAC,EAAE,IAAI,EAAE,MAAM,EAA4C;IAC7E,MAAM,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,IAAI,EAAE,GAAG,IAAI,CAAC;IAC/B,OAAO;QACL,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,KAAK,GAAG,MAAM,CAAC,WAAW,CAAC,CAAC;QAC1C,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,KAAK,GAAG,MAAM,CAAC,WAAW,CAAC,CAAC;QAC1C,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,KAAK;QACnB,IAAI;KACL,CAAC;AACJ,CAAC;AAED,MAAM,UAAU,eAAe,CAAC,EAC9B,QAAQ,EACR,MAAM,GAIP;IACC,MAAM,QAAQ,GAAG,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,MAAM,EAAE,EAAE;QAClE,MAAM,IAAI,GAAG,QAAQ,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;QACpC,OAAO;YACL,GAAG,GAAG;YACN,CAAC,MAAM,CAAC,EAAE,WAAW,CAAC,EAAE,IAAI,EAAE,MAAM,EAAE,CAAC;SACxC,CAAC;IACJ,CAAC,EAAE,EAAE,CAAC,CAAC;IAEP,OAAO;QACL,GAAG,QAAQ;QACX,KAAK,EAAE;YACL,GAAG,QAAQ;SACZ;KACF,CAAC;AACJ,CAAC;AAED,MAAM,UAAU,wBAAwB;IACtC,OAAO;QACL,KAAK,EAAE,EAAE;QACT,WAAW,EAAE;YACX,CAAC,EAAE,GAAG;YACN,CAAC,EAAE,EAAE;SACN;KACF,CAAC;AACJ,CAAC"}

package/package.json

@@ -1,10 +1,11 @@
 {
   "name": "@chemistry/molecule",
-  "version": "2.9.0",
+  "version": "3.0.1",
   "description": "Molecule",
+  "type": "module",
   "author": {
     "name": "Volodymyr Vreshch",
-    "url": "http://vreshch.com/"
+    "url": "https://vreshch.com/"
   },
   "license": "MIT",
   "keywords": [
@@ -14,31 +15,49 @@
     "atoms",
     "bonds"
   ],
-  "repository": "https://github.com/chemistry/chemical-libraries/tree/master/packages/molecule",
+  "repository": {
+    "type": "git",
+    "url": "https://github.com/chemistry/chemical-libraries.git",
+    "directory": "packages/molecule"
+  },
   "engines": {
-    "node": ">=6.0.0"
+    "node": ">=20.0.0"
   },
   "publishConfig": {
     "registry": "https://registry.npmjs.org/",
     "access": "public"
   },
   "private": false,
+  "sideEffects": false,
   "files": [
-    "package-lock.json",
     "package.json",
     "dist",
     "README.md"
   ],
-  "main": "dist/molecule.js",
-  "typings": "dist/index.d.ts",
+  "main": "./dist/index.js",
+  "types": "./dist/index.d.ts",
+  "exports": {
+    ".": {
+      "types": "./dist/index.d.ts",
+      "import": "./dist/index.js"
+    }
+  },
   "scripts": {
-    "build": "webpack-cli --config webpack.config.js --mode production"
+    "build": "tsc",
+    "type-check": "tsc --noEmit"
   },
   "dependencies": {
-    "@chemistry/common": "^2.9.0",
-    "@chemistry/elements": "^2.9.0",
-    "@chemistry/math": "^2.9.0",
-    "redux": "4.0.1"
+    "@chemistry/common": "^3.0.0",
+    "@chemistry/elements": "^3.0.0",
+    "@chemistry/math": "^3.0.0",
+    "redux": "^5.0.0"
+  },
+  "peerDependencies": {
+    "react": "^18.0.0 || ^19.0.0"
   },
-  "gitHead": "a3e69dc70e47ea81923fcff53cb738acf0d4d7c1"
+  "peerDependenciesMeta": {
+    "react": {
+      "optional": true
+    }
+  }
 }

package/LICENSE.md

@@ -1,22 +0,0 @@
-MIT License
-
-Copyright (c) 2019 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/package-lock.json

@@ -1,53 +0,0 @@
-{
-  "name": "@chemistry/molecule",
-  "version": "2.9.0",
-  "lockfileVersion": 1,
-  "requires": true,
-  "dependencies": {
-    "@chemistry/common": {
-      "version": "2.7.0",
-      "resolved": "https://registry.npmjs.org/@chemistry/common/-/common-2.7.0.tgz",
-      "integrity": "sha512-UqJ3xVuI6UonOpSyTEuHAkNS8EjvWqE4zsXNNw5h2HoDbLkLqsptTw3c5lrr4y93A2Cwu4h3bEUBWklh1KqcsQ=="
-    },
-    "@chemistry/elements": {
-      "version": "2.7.0",
-      "resolved": "https://registry.npmjs.org/@chemistry/elements/-/elements-2.7.0.tgz",
-      "integrity": "sha512-cSF6+Whx96kbowgiQn2DzHvYYNCiZPDXnWR7iYy5NFA3GRskvK7DYaBtdKvVkObWA0i/KHToeFe8tnaRBtoXCw=="
-    },
-    "@chemistry/math": {
-      "version": "2.7.0",
-      "resolved": "https://registry.npmjs.org/@chemistry/math/-/math-2.7.0.tgz",
-      "integrity": "sha512-NqMb5aPoCdraMwn2ZrKNgX1pcsgAZW9hqJkEYACmlLrMe+cRNKypVBKuwcdIwZltwE353PQEPC2TOhw7070L6A==",
-      "requires": {
-        "@chemistry/common": "^2.7.0"
-      }
-    },
-    "js-tokens": {
-      "version": "4.0.0",
-      "resolved": "https://registry.npmjs.org/js-tokens/-/js-tokens-4.0.0.tgz",
-      "integrity": "sha512-RdJUflcE3cUzKiMqQgsCu06FPu9UdIJO0beYbPhHN4k6apgJtifcoCtT9bcxOpYBtpD2kCM6Sbzg4CausW/PKQ=="
-    },
-    "loose-envify": {
-      "version": "1.4.0",
-      "resolved": "https://registry.npmjs.org/loose-envify/-/loose-envify-1.4.0.tgz",
-      "integrity": "sha512-lyuxPGr/Wfhrlem2CL/UcnUc1zcqKAImBDzukY7Y5F/yQiNdko6+fRLevlw1HgMySw7f611UIY408EtxRSoK3Q==",
-      "requires": {
-        "js-tokens": "^3.0.0 || ^4.0.0"
-      }
-    },
-    "redux": {
-      "version": "4.0.1",
-      "resolved": "https://registry.npmjs.org/redux/-/redux-4.0.1.tgz",
-      "integrity": "sha512-R7bAtSkk7nY6O/OYMVR9RiBI+XghjF9rlbl5806HJbQph0LJVHZrU5oaO4q70eUKiqMRqm4y07KLTlMZ2BlVmg==",
-      "requires": {
-        "loose-envify": "^1.4.0",
-        "symbol-observable": "^1.2.0"
-      }
-    },
-    "symbol-observable": {
-      "version": "1.2.0",
-      "resolved": "https://registry.npmjs.org/symbol-observable/-/symbol-observable-1.2.0.tgz",
-      "integrity": "sha512-e900nM8RRtGhlV36KGEU9k65K3mPb1WV70OdjfxlG2EAuM1noi/E/BaW/uMhL7bPEssK8QV57vN3esixjUvcXQ=="
-    }
-  }
-}