@chemistry/crystalview 1.0.9 → 3.1.1

package/LICENSE

@@ -1,6 +1,6 @@
 MIT License
 
-Copyright (c) 2020 Volodymyr Vreshch
+Copyright (c) 2026 Volodymyr Vreshch
 
 Permission is hereby granted, free of charge, to any person obtaining
 a copy of this software and associated documentation files (the

package/README.md

@@ -1,42 +1,72 @@
 # CrystalView
+
 [![GitHub Build Status](https://github.com/chemistry/crystalview/workflows/CI/badge.svg)](https://github.com/chemistry/crystalview/actions?query=workflow%3ACI)
-[![License: MIT](https://img.shields.io/badge/License-MIT-gren.svg)](https://opensource.org/licenses/MIT)
-
-Simple Crystal Viewer - v1
-
-## How to use
-```javascript
-import { Mol3DView }  from '@chemistry/crystalview';
-import structure from './1000004';
-
-$(() => {
-    let viewer = new Mol3DView({
-        bgcolor: "#2b303b"
-    });
-    var element = document.getElementById('app');
-    viewer.append(element);
-    viewer.onInit();
-
-    try {
-        viewer.load(structure);
-    } catch(e) {
-    }
-});
+[![npm version](https://img.shields.io/npm/v/@chemistry/crystalview)](https://www.npmjs.com/package/@chemistry/crystalview)
+[![License: MIT](https://img.shields.io/badge/License-MIT-green.svg)](https://opensource.org/licenses/MIT)
+
+Crystal structure visualization library for the browser. Renders 3D molecular and crystal structures on an HTML5 canvas.
+
+![CrystalView](https://github.com/chemistry/crystalview/blob/master/crystalview.png?raw=true)
+
+## Installation
+
+```bash
+npm install @chemistry/crystalview
+```
+
+## Usage
+
+```typescript
+import { Mol3DView } from '@chemistry/crystalview';
+import '@chemistry/crystalview/crystalview.css';
+
+const container = document.getElementById('viewer')!;
+
+const viewer = new Mol3DView({ bgcolor: '#2b303b' });
+viewer.append(container);
+viewer.onInit();
+viewer.load(structureData);
 ```
 
-## Quick start:
-  * Run unit tests: `npm run test`
-  * Start TDD flow: `npm run tdd`
-  * Run linter verification: `npm run lint`
-  * Run linter verification & fix: `npm run lintfix`
-  * Build project: `npm run build`
+## Tech Stack
+
+- TypeScript 5.9, ES2024 target, ESM
+- Vitest for testing, 70%+ coverage
+- ESLint 10 (flat config) + Prettier
+- Native `tsc` build (no bundler)
+- Node.js 22+
+
+## Commands
+
+| Command                | Description                                                   |
+| ---------------------- | ------------------------------------------------------------- |
+| `npm run build`        | Build the library                                             |
+| `npm run test`         | Run unit tests                                                |
+| `npm run lint`         | Run ESLint                                                    |
+| `npm run format:check` | Check Prettier formatting                                     |
+| `npm run type-check`   | Run TypeScript type checking                                  |
+| `npm run verify`       | Full verification (type-check + lint + format + test + build) |
+
+## Showcase App
+
+A Vite-based demo is available in `showcase/`:
+
+```bash
+cd showcase
+npm install
+npm run dev
+```
 
 ## Release
+
 ```bash
-git tag v1.0.0
+git tag v3.0.1
 git push --tags
 ```
 
+The `release.yml` GitHub Action will publish to npm and create a GitHub Release automatically.
+
 ## License
-  This project is licensed under the MIT license, Copyright (c) 2020 Volodymyr Vreshch.
-  For more information see [LICENSE.md](https://github.com/chemistry/crystalview/blob/master/LICENSE).
+
+This project is licensed under the MIT license, Copyright (c) 2026 Volodymyr Vreshch.
+For more information see [LICENSE](https://github.com/chemistry/crystalview/blob/master/LICENSE).

package/dist/{src/camera → camera}/Camera.d.ts

@@ -1,63 +1,69 @@
-import { Vec3 } from "@chemistry/math";
-import { ICamera } from "./ICamera";
-export declare class Camera implements ICamera {
-    private element;
-    /**
-     * RootationMatrix
-     */
-    private rootation;
-    /**
-     * TranSlation Matrix
-     */
-    private translation;
-    private projectionMatrix;
-    private unprojectionMatrix;
-    private mouseCapture;
-    private mouseBegin;
-    private mouseLast;
-    private mouseCurrent;
-    private mouseClick;
-    private width;
-    private height;
-    private onRedrawCallBack;
-    private onClickCallBack;
-    constructor(options: {
-        element: HTMLElement;
-        onRedraw: () => void;
-        onClick: (x: number, y: number) => void;
-    });
-    onInit(): void;
-    onDestroy(): void;
-    /**
-     * Transform from 3D coordinates to Screen coordinates
-     */
-    project(position: Vec3): Vec3;
-    /**
-     * Transform screen coordinates to 3D coords
-     */
-    unproject(position: Vec3): Vec3;
-    extractScale(): number;
-    /**
-     * Set Transformation scale and Rootation center
-     */
-    setCameraView(scale: number, center: Vec3): void;
-    private attachLiseners();
-    private _mousedown(event);
-    private _mouseup(event);
-    private _mouseleave(event);
-    private _mousemove(event);
-    private _mousewheel(event);
-    private processMouseClick(offsetX, offsetY, which);
-    private processMouseMove(shiftKey, ctrlKey, which);
-    private mouseRootate_XYZ();
-    private mouseRootateXY();
-    private mouseTranslate();
-    private mouseZoom(event);
-    private whellZoom(event);
-    private detachLiseners();
-    private onRedraw();
-    /**
-     * Init projection Matrixes
-     */
-    private initMatrixes();
-}
+import { Vec3 } from '@chemistry/math';
+import { ICamera } from './ICamera.js';
+export declare class Camera implements ICamera {
+    private element;
+    /**
+     * RootationMatrix
+     */
+    private rootation;
+    /**
+     * TranSlation Matrix
+     */
+    private translation;
+    private projectionMatrix;
+    private unprojectionMatrix;
+    private mouseCapture;
+    private mouseBegin;
+    private mouseLast;
+    private mouseCurrent;
+    private mouseClick;
+    private width;
+    private height;
+    private onRedrawCallBack;
+    private onClickCallBack;
+    private boundMouseDown;
+    private boundMouseUp;
+    private boundMouseLeave;
+    private boundMouseMove;
+    private boundWheel;
+    constructor(options: {
+        element: HTMLElement;
+        onRedraw: () => void;
+        onClick: (x: number, y: number) => void;
+    });
+    onInit(): void;
+    onDestroy(): void;
+    /**
+     * Transform from 3D coordinates to Screen coordinates
+     */
+    project(position: Vec3): Vec3;
+    /**
+     * Transform screen coordinates to 3D coords
+     */
+    unproject(position: Vec3): Vec3;
+    extractScale(): number;
+    /**
+     * Set Transformation scale and Rootation center
+     */
+    setCameraView(scale: number, center: Vec3): void;
+    private attachLiseners;
+    private _mousedown;
+    private _mouseup;
+    private _mouseleave;
+    private _mousemove;
+    private _mousewheel;
+    private processMouseClick;
+    private processMouseMove;
+    private mouseRootate_XYZ;
+    private mouseRootateXY;
+    private mouseTranslate;
+    private mouseZoom;
+    private whellZoom;
+    private detachLiseners;
+    private onRedraw;
+    /**
+     * Init projection Matrixes
+     */
+    private initMatrixes;
+}
+//# sourceMappingURL=Camera.d.ts.map

package/dist/camera/Camera.d.ts.map

@@ -0,0 +1 @@
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package/dist/camera/Camera.js

@@ -0,0 +1,257 @@
+import { Transform3D, Vec3 } from '@chemistry/math';
+const radStep = 0.012;
+export class Camera {
+    element;
+    /**
+     * RootationMatrix
+     */
+    rootation;
+    /**
+     * TranSlation Matrix
+     */
+    translation;
+    // projection matrix
+    projectionMatrix;
+    // unproject matrix
+    unprojectionMatrix;
+    // Mose click captured ?
+    mouseCapture;
+    // Click mouse position;
+    mouseBegin;
+    // Mouse position of last transformation
+    mouseLast;
+    // mouse current position
+    mouseCurrent;
+    // mouse btn click flag
+    mouseClick;
+    width;
+    height;
+    onRedrawCallBack;
+    onClickCallBack;
+    boundMouseDown;
+    boundMouseUp;
+    boundMouseLeave;
+    boundMouseMove;
+    boundWheel;
+    constructor(options) {
+        this.element = options.element;
+        const scale = 20;
+        const center = new Vec3(0, 0, 0);
+        this.mouseCapture = false;
+        this.mouseClick = false;
+        this.rootation = Transform3D.fromScale(scale);
+        this.translation = Transform3D.fromTranslation(center);
+        // viewport size
+        this.width = this.element.clientWidth;
+        this.height = this.element.clientHeight;
+        this.onRedrawCallBack = options.onRedraw;
+        this.onClickCallBack = options.onClick;
+        // Create bound handlers for proper cleanup
+        this.boundMouseDown = (event) => {
+            this._mousedown(event);
+        };
+        this.boundMouseUp = (event) => {
+            this._mouseup(event);
+        };
+        this.boundMouseLeave = (event) => {
+            this._mouseleave(event);
+        };
+        this.boundMouseMove = (event) => {
+            this._mousemove(event);
+        };
+        this.boundWheel = (event) => {
+            this._mousewheel(event);
+        };
+        // Attach liseners
+        this.attachLiseners();
+        this.initMatrixes();
+    }
+    onInit() {
+        // Attach liseners
+        this.attachLiseners();
+        this.initMatrixes();
+    }
+    onDestroy() {
+        this.detachLiseners();
+    }
+    /**
+     * Transform from 3D coordinates to Screen coordinates
+     */
+    project(position) {
+        return this.projectionMatrix.project(position);
+    }
+    /**
+     * Transform screen coordinates to 3D coords
+     */
+    unproject(position) {
+        return this.unprojectionMatrix.project(position);
+    }
+    extractScale() {
+        return this.rootation.extractScale();
+    }
+    /**
+     * Set Transformation scale and Rootation center
+     */
+    setCameraView(scale, center) {
+        this.rootation = Transform3D.fromScale(scale);
+        this.translation = Transform3D.fromTranslation(center.scale(-1));
+        // reset projection matrix
+        this.initMatrixes();
+    }
+    attachLiseners() {
+        this.element.addEventListener('mousedown', this.boundMouseDown);
+        this.element.addEventListener('mouseup', this.boundMouseUp);
+        this.element.addEventListener('mouseleave', this.boundMouseLeave);
+        this.element.addEventListener('mousemove', this.boundMouseMove);
+        this.element.addEventListener('wheel', this.boundWheel);
+    }
+    _mousedown(event) {
+        this.mouseCapture = true;
+        this.mouseClick = true;
+        this.mouseBegin = [event.offsetX, event.offsetY];
+        this.mouseCurrent = [event.offsetX, event.offsetY];
+        this.mouseLast = [event.offsetX, event.offsetY];
+    }
+    _mouseup(event) {
+        if (!this.mouseCapture) {
+            return;
+        }
+        this.mouseCapture = false;
+        this.mouseCurrent = [event.offsetX, event.offsetY];
+        if (this.mouseClick) {
+            this.processMouseClick(event.offsetX, event.offsetY, event.which);
+        }
+        else {
+            this.processMouseMove(event.shiftKey, event.ctrlKey, event.which);
+        }
+        this.mouseLast = [event.offsetX, event.offsetY];
+        this.mouseClick = false;
+    }
+    _mouseleave(event) {
+        if (!this.mouseCapture) {
+            return;
+        }
+        this.mouseCapture = false;
+        this.mouseCurrent = [event.offsetX, event.offsetY];
+        this.processMouseMove(event.shiftKey, event.ctrlKey, event.which);
+        this.mouseLast = [event.offsetX, event.offsetY];
+    }
+    _mousemove(event) {
+        if (!this.mouseCapture) {
+            return;
+        }
+        this.mouseCurrent = [event.offsetX, event.offsetY];
+        this.processMouseMove(event.shiftKey, event.ctrlKey, event.which);
+        this.mouseLast = [event.offsetX, event.offsetY];
+        event.preventDefault();
+    }
+    _mousewheel(event) {
+        this.whellZoom(event);
+        this.initMatrixes();
+        this.onRedraw();
+        event.preventDefault();
+    }
+    processMouseClick(offsetX, offsetY, which) {
+        if (which === 1 && this.onClickCallBack) {
+            this.onClickCallBack(offsetX, offsetY);
+        }
+    }
+    processMouseMove(shiftKey, ctrlKey, which) {
+        if (this.mouseCurrent[1] === this.mouseCurrent[0] &&
+            this.mouseLast[1] === this.mouseCurrent[1]) {
+            return;
+        }
+        // skeep if it's mouse Click
+        if (Math.abs(this.mouseBegin[0] - this.mouseCurrent[0]) < 6 &&
+            Math.abs(this.mouseBegin[2] - this.mouseCurrent[2]) < 6 &&
+            this.mouseClick) {
+            return;
+        }
+        this.mouseClick = false;
+        switch (true) {
+            case shiftKey || which === 2:
+                // Translate
+                this.mouseTranslate();
+                break;
+            case ctrlKey || which === 3:
+                // zoom
+                // mouseZoom.call(this);
+                break;
+            default:
+                // Rotate 3D
+                this.mouseRootate_XYZ();
+            // callDefaultAction.call(this);
+        }
+        this.initMatrixes();
+        this.onRedraw();
+    }
+    mouseRootate_XYZ() {
+        const dx = this.mouseLast[0] - this.mouseCurrent[0]; // = [0,0];
+        const dy = this.mouseLast[1] - this.mouseCurrent[1];
+        let t = Transform3D.fromScale(1);
+        let axis = new Vec3(0, 1, 0);
+        t = t.rotate(axis, dx * radStep);
+        axis = new Vec3(1, 0, 0);
+        t = t.rotate(axis, -dy * radStep);
+        const m = Transform3D.fromMultiplication(this.rootation, t);
+        this.rootation = m;
+    }
+    mouseRootateXY() {
+        const dy = this.mouseLast[1] - this.mouseCurrent[1];
+        let t = Transform3D.fromScale(1);
+        const axis = new Vec3(0, 0, 1);
+        t = t.rotate(axis, dy * radStep);
+        const m = Transform3D.fromMultiplication(this.rootation, t);
+        this.rootation = m;
+    }
+    mouseTranslate() {
+        const u1 = this.unproject(new Vec3(this.mouseLast[0], this.mouseLast[1], 0));
+        const u2 = this.unproject(new Vec3(this.mouseCurrent[0], this.mouseCurrent[1], 0));
+        const tr = Vec3.sub(u2, u1);
+        this.translation = this.translation.translate(tr);
+    }
+    mouseZoom() {
+        const dy = this.mouseLast[1] - this.mouseCurrent[1];
+        let scale;
+        if (dy > 0) {
+            scale = 1 + (dy / this.height) * 4;
+        }
+        else {
+            scale = 1 / (1 - (dy / this.height) * 4);
+        }
+        const t = Transform3D.fromScale(scale);
+        this.rootation = Transform3D.fromMultiplication(this.rootation, t);
+    }
+    whellZoom(event) {
+        const dy = (-event.deltaY / 120) * (this.height / 16);
+        let scale;
+        if (dy > 0) {
+            scale = 1 + (dy / this.height) * 4;
+        }
+        else {
+            scale = 1 / (1 - (dy / this.height) * 4);
+        }
+        const t = Transform3D.fromScale(scale);
+        this.rootation = Transform3D.fromMultiplication(this.rootation, t);
+    }
+    detachLiseners() {
+        this.element.removeEventListener('mousedown', this.boundMouseDown);
+        this.element.removeEventListener('mouseup', this.boundMouseUp);
+        this.element.removeEventListener('mouseleave', this.boundMouseLeave);
+        this.element.removeEventListener('mousemove', this.boundMouseMove);
+        this.element.removeEventListener('wheel', this.boundWheel);
+    }
+    onRedraw() {
+        if (this.onRedrawCallBack) {
+            this.onRedrawCallBack();
+        }
+    }
+    /**
+     * Init projection Matrixes
+     */
+    initMatrixes() {
+        this.projectionMatrix = Transform3D.fromMultiplication(this.translation, this.rootation);
+        this.unprojectionMatrix = this.projectionMatrix.inverse();
+    }
+}
+//# sourceMappingURL=Camera.js.map

package/dist/camera/Camera.js.map

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

@@ -0,0 +1,9 @@
+import { Vec3 } from '@chemistry/math';
+export interface ICamera {
+    onInit(): void;
+    onDestroy(): void;
+    project(position: Vec3): Vec3;
+    unproject(position: Vec3): Vec3;
+    extractScale(): number;
+}
+//# sourceMappingURL=ICamera.d.ts.map

package/dist/camera/ICamera.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"ICamera.d.ts","sourceRoot":"","sources":["../../src/camera/ICamera.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,IAAI,EAAE,MAAM,iBAAiB,CAAC;AAEvC,MAAM,WAAW,OAAO;IACtB,MAAM,IAAI,IAAI,CAAC;IACf,SAAS,IAAI,IAAI,CAAC;IAElB,OAAO,CAAC,QAAQ,EAAE,IAAI,GAAG,IAAI,CAAC;IAC9B,SAAS,CAAC,QAAQ,EAAE,IAAI,GAAG,IAAI,CAAC;IAEhC,YAAY,IAAI,MAAM,CAAC;CACxB"}

package/dist/camera/ICamera.js

@@ -0,0 +1,2 @@
+export {};
+//# sourceMappingURL=ICamera.js.map

package/dist/camera/ICamera.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"ICamera.js","sourceRoot":"","sources":["../../src/camera/ICamera.ts"],"names":[],"mappings":""}

package/dist/{src/crystal-view.d.ts → crystal-view.d.ts}

@@ -1,24 +1,25 @@
-export declare class Mol3DView {
-    private View;
-    private canvasElement;
-    private context;
-    private initDone;
-    private width;
-    private height;
-    private subscriptions;
-    private molecule;
-    private painer;
-    private camera;
-    private contextMenu;
-    private options;
-    constructor(options: {
-        bgcolor?: string;
-    });
-    append(element: HTMLElement): void;
-    load(jcif: object): void;
-    center(): void;
-    onInit(): void;
-    onDestroy(): void;
-    private redraw();
-    private resizeCanvas();
-}
+export declare class Mol3DView {
+    private viewElement;
+    private canvasElement;
+    private context;
+    private initDone;
+    private width;
+    private height;
+    private subscriptions;
+    private molecule;
+    private painter;
+    private camera;
+    private contextMenu;
+    private options;
+    constructor(options: {
+        bgcolor?: string;
+    });
+    append(element: HTMLElement): void;
+    load(jcif: object): void;
+    center(): void;
+    onInit(): void;
+    onDestroy(): void;
+    private redraw;
+    private resizeCanvas;
+}
+//# sourceMappingURL=crystal-view.d.ts.map

package/dist/crystal-view.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"crystal-view.d.ts","sourceRoot":"","sources":["../src/crystal-view.ts"],"names":[],"mappings":"AAMA,qBAAa,SAAS;IACpB,OAAO,CAAC,WAAW,CAAkB;IACrC,OAAO,CAAC,aAAa,CAAqB;IAC1C,OAAO,CAAC,OAAO,CAA4B;IAC3C,OAAO,CAAC,QAAQ,CAAU;IAE1B,OAAO,CAAC,KAAK,CAAU;IACvB,OAAO,CAAC,MAAM,CAAU;IACxB,OAAO,CAAC,aAAa,CAAiB;IACtC,OAAO,CAAC,QAAQ,CAAa;IAE7B,OAAO,CAAC,OAAO,CAAW;IAC1B,OAAO,CAAC,MAAM,CAAU;IACxB,OAAO,CAAC,WAAW,CAAe;IAElC,OAAO,CAAC,OAAO,CAKb;gBAEU,OAAO,EAAE;QAAE,OAAO,CAAC,EAAE,MAAM,CAAA;KAAE;IAYlC,MAAM,CAAC,OAAO,EAAE,WAAW;IA+F3B,IAAI,CAAC,IAAI,EAAE,MAAM;IAMjB,MAAM;IAcN,MAAM;IA4BN,SAAS;IAOhB,OAAO,CAAC,MAAM;IAQd,OAAO,CAAC,YAAY;CAarB"}