@chemistry/crystalview 1.0.9 → 3.0.0

package/dist/painter/Painter.js

@@ -0,0 +1,235 @@
+import { Vec3 } from '@chemistry/math';
+import { CanvasContext } from './CanvasContext.js';
+const ATOM_RADIUS_FACTOR = 0.25;
+export class Painter {
+    constructor(context, options) {
+        this.zBuffer = [];
+        this.context = new CanvasContext(context);
+        this.options = options;
+    }
+    draw(molecule, camera) {
+        const context = this.context;
+        this.zBuffer = [];
+        context.save();
+        context.clear(this.options.bgcolor);
+        context.center();
+        this.prepareAtoms(molecule, camera);
+        this.prepareBonds(molecule, camera);
+        if (this.options.showMarkers) {
+            this.prepareMarkers(molecule, camera);
+            this.prepareMarkersContacts(molecule, camera);
+        }
+        if (this.options.showUnitCell) {
+            this.prepareUnitCell(molecule, camera);
+        }
+        if (this.options.showLabels) {
+            this.prepareLabels(molecule, camera);
+        }
+        this.zBuffer.sort((i1, i2) => {
+            return i1.z - i2.z;
+        });
+        this.drawZBuffer();
+        context.restore();
+        this.zBuffer = [];
+    }
+    uprojectToMarker(data) {
+        const currentZ = -Infinity;
+        const camera = data.camera;
+        const molecule = data.molecule;
+        let currentMarker = null;
+        const tx = data.x - this.context.getCenterX();
+        const ty = data.y - this.context.getCenterY();
+        const clickR = 9;
+        const clickR2 = clickR * clickR;
+        for (const marker of molecule.markers) {
+            const projection = camera.project(marker.position);
+            if (Math.abs(projection.x - tx) < clickR && Math.abs(projection.y - ty) < clickR) {
+                const length = Math.sqrt((projection.x - tx) * (projection.x - tx) + (projection.y - ty) * (projection.y - ty));
+                if (length < clickR2 && currentZ < projection.z) {
+                    currentMarker = marker;
+                }
+            }
+        }
+        return currentMarker;
+    }
+    drawZBuffer() {
+        const context = this.context;
+        for (const item of this.zBuffer) {
+            switch (item.type) {
+                case 'atom':
+                    this.drawAtom(context, item);
+                    break;
+                case 'label':
+                    this.drawLabel(context, item);
+                    break;
+                case 'bond-line':
+                    this.drawBondLine(context, item);
+                    break;
+                case 'marker':
+                    this.drawMarker(context, item);
+                    break;
+                case 'marker-contact':
+                    this.drawMarkerContact(context, item);
+                    break;
+                case 'unit-cell-line':
+                    this.unitCellLine(context, item);
+                    break;
+                default:
+                    break;
+            }
+        }
+    }
+    unitCellLine(context, obj) {
+        context.line(obj.x1, obj.y1, obj.x2, obj.y2, obj.color);
+    }
+    drawBondLine(context, obj) {
+        context.line(obj.x1, obj.y1, obj.x2, obj.y2, obj.color);
+    }
+    drawAtom(context, obj) {
+        context.circle(obj.x, obj.y, obj.r, obj.color);
+    }
+    drawMarker(context, obj) {
+        context.circle(obj.x, obj.y, 3, '#ffda4d');
+    }
+    drawMarkerContact(context, obj) {
+        context.linedashed(obj.x1, obj.y1, obj.x2, obj.y2, '#ffda4d', [4, 7]);
+    }
+    drawLabel(context, obj) {
+        context.text(obj.label, obj.x, obj.y, '#ffffff', '12px Arial');
+    }
+    prepareMarkers(molecule, camera) {
+        for (const marker of molecule.markers) {
+            const projection = camera.project(marker.position);
+            this.zBuffer.push({
+                type: 'marker',
+                x: projection.x,
+                y: projection.y,
+                z: projection.z,
+            });
+        }
+    }
+    prepareLabels(molecule, camera) {
+        const scale = camera.extractScale() * ATOM_RADIUS_FACTOR;
+        for (const atom of molecule.atoms) {
+            const projection = camera.project(atom.position);
+            const r = atom.parent.element.RCow * scale;
+            const label = atom.parent.label;
+            if (label) {
+                this.zBuffer.push({
+                    label,
+                    r: atom.parent.element.RCow * scale,
+                    type: 'label',
+                    x: projection.x + r + 3,
+                    y: projection.y - r,
+                    z: projection.z,
+                });
+            }
+        }
+    }
+    prepareMarkersContacts(molecule, camera) {
+        for (const marker of molecule.markersContacts) {
+            const p1 = camera.project(marker.position1);
+            const p2 = camera.project(marker.position2);
+            this.zBuffer.push({
+                type: 'marker-contact',
+                x1: p1.x,
+                x2: p2.x,
+                y1: p1.y,
+                y2: p2.y,
+                z: (p1.z + p2.z) / 2,
+            });
+        }
+    }
+    prepareAxis(p1, p2, color, num) {
+        const det = Vec3.sub(p2, p1).scale(1 / num);
+        for (let i = 0; i < num; i++) {
+            this.zBuffer.push({
+                color,
+                type: 'unit-cell-line',
+                x1: p1.x + det.x * i,
+                x2: p1.x + det.x * (i + 1),
+                y1: p1.y + det.y * i,
+                y2: p1.y + det.y * (i + 1),
+                z: (p1.z + det.z * i + p1.z + det.z * (i + 1)) / 2,
+            });
+        }
+    }
+    prepareUnitCell(molecule, camera) {
+        const uc = molecule.unitCell;
+        if (!uc) {
+            return;
+        }
+        const v000 = uc.fractToOrth(new Vec3(0, 0, 0));
+        const v100 = uc.fractToOrth(new Vec3(1, 0, 0));
+        const v010 = uc.fractToOrth(new Vec3(0, 1, 0));
+        const v001 = uc.fractToOrth(new Vec3(0, 0, 1));
+        const v101 = uc.fractToOrth(new Vec3(1, 0, 1));
+        const v011 = uc.fractToOrth(new Vec3(0, 1, 1));
+        const v110 = uc.fractToOrth(new Vec3(1, 1, 0));
+        const v111 = uc.fractToOrth(new Vec3(1, 1, 1));
+        const p000 = camera.project(v000);
+        const p100 = camera.project(v100);
+        const p010 = camera.project(v010);
+        const p001 = camera.project(v001);
+        const p101 = camera.project(v101);
+        const p011 = camera.project(v011);
+        const p110 = camera.project(v110);
+        const p111 = camera.project(v111);
+        this.prepareAxis(p000, p100, '#b00000', Math.ceil(v100.length / 4));
+        this.prepareAxis(p100, p101, '#707070', Math.ceil(v001.length / 4));
+        this.prepareAxis(p100, p110, '#707070', Math.ceil(v010.length / 4));
+        this.prepareAxis(p010, p011, '#707070', Math.ceil(v001.length / 4));
+        this.prepareAxis(p000, p010, '#00b000', Math.ceil(v010.length / 4));
+        this.prepareAxis(p010, p110, '#707070', Math.ceil(v100.length / 4));
+        this.prepareAxis(p000, p001, '#0000b0', Math.ceil(v100.length / 4));
+        this.prepareAxis(p001, p011, '#707070', Math.ceil(v010.length / 4));
+        this.prepareAxis(p001, p101, '#707070', Math.ceil(v100.length / 4));
+        this.prepareAxis(p111, p101, '#707070', Math.ceil(v010.length / 4));
+        this.prepareAxis(p111, p011, '#707070', Math.ceil(v100.length / 4));
+        this.prepareAxis(p111, p110, '#707070', Math.ceil(v001.length / 4));
+    }
+    prepareBonds(molecule, camera) {
+        for (const bond of molecule.bonds) {
+            const a1 = bond.atom1;
+            const a2 = bond.atom2;
+            const p1 = camera.project(a1.position);
+            const p2 = camera.project(a2.position);
+            const pmidx = (p1.x + p2.x) / 2;
+            const pmidy = (p1.y + p2.y) / 2;
+            const pmidz = (p1.z + p2.z) / 2;
+            this.zBuffer.push({
+                color: a1.getColor(),
+                type: 'bond-line',
+                x1: p1.x,
+                x2: pmidx,
+                y1: p1.y,
+                y2: pmidy,
+                z: (p1.z + pmidz) / 2,
+            });
+            this.zBuffer.push({
+                color: a2.getColor(),
+                type: 'bond-line',
+                x1: p2.x,
+                x2: pmidx,
+                y1: p2.y,
+                y2: pmidy,
+                z: (p2.z + pmidz) / 2,
+            });
+        }
+    }
+    prepareAtoms(molecule, camera) {
+        const scale = camera.extractScale() * ATOM_RADIUS_FACTOR;
+        for (const atom of molecule.atoms) {
+            const projection = camera.project(atom.position);
+            this.zBuffer.push({
+                color: atom.getColor(),
+                r: atom.parent.element.RCow * scale,
+                type: 'atom',
+                x: projection.x,
+                y: projection.y,
+                z: projection.z,
+            });
+        }
+    }
+}
+//# sourceMappingURL=Painter.js.map

package/dist/painter/Painter.js.map

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

@@ -0,0 +1,24 @@
+import { ContextMenuItem } from './ContextMenuItem.js';
+export declare class ContextMenu {
+    private static initDone;
+    private static instances;
+    private static subscription;
+    private static getInstances;
+    private static init;
+    private static off;
+    private static hideAll;
+    private static addInstance;
+    private static removeInstance;
+    private widget;
+    private view;
+    private intervalID;
+    private menuItems;
+    constructor(menuItems: ContextMenuItem[]);
+    onInit(element: HTMLElement): void;
+    onDestroy(): void;
+    hide(): void;
+    show(posX: number, posY: number): void;
+    private attach;
+    private getView;
+}
+//# sourceMappingURL=ContextMenu.d.ts.map

package/dist/ui/ContextMenu.d.ts.map

@@ -0,0 +1 @@
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package/dist/ui/ContextMenu.js

@@ -0,0 +1,140 @@
+export class ContextMenu {
+    static getInstances() {
+        return ContextMenu.instances;
+    }
+    static init() {
+        if (ContextMenu.initDone) {
+            return;
+        }
+        ContextMenu.initDone = true;
+        ContextMenu.instances = [];
+        // hide all menu on Mouse Click or Esc
+        const hideAll = () => {
+            ContextMenu.hideAll();
+        };
+        document.body.addEventListener('click', hideAll);
+        document.body.addEventListener('contextmenu', hideAll);
+        const escHandler = (e) => {
+            if (e.key === 'Escape') {
+                ContextMenu.hideAll();
+            }
+        };
+        document.body.addEventListener('keyup', escHandler);
+        ContextMenu.subscription = () => {
+            document.body.removeEventListener('click', hideAll);
+            document.body.removeEventListener('contextmenu', hideAll);
+            document.body.removeEventListener('keyup', escHandler);
+        };
+    }
+    static off() {
+        if (ContextMenu.instances?.length) {
+            return;
+        }
+        ContextMenu.initDone = false;
+        if (ContextMenu.subscription) {
+            ContextMenu.subscription();
+            ContextMenu.subscription = null;
+        }
+    }
+    // hide all opened context menus
+    static hideAll() {
+        for (const menu of ContextMenu.getInstances()) {
+            menu.hide();
+        }
+    }
+    static addInstance(menu) {
+        ContextMenu.instances.push(menu);
+    }
+    static removeInstance(menu) {
+        const instances = ContextMenu.instances;
+        const idx = instances.indexOf(menu);
+        if (idx > -1) {
+            instances.splice(idx, 1);
+        }
+    }
+    constructor(menuItems) {
+        this.widget = null;
+        this.view = null;
+        this.intervalID = null;
+        this.menuItems = menuItems;
+    }
+    onInit(element) {
+        ContextMenu.init();
+        ContextMenu.addInstance(this);
+        this.attach(element);
+        this.view = this.getView();
+    }
+    onDestroy() {
+        ContextMenu.removeInstance(this);
+        if (!ContextMenu.getInstances().length) {
+            ContextMenu.off();
+        }
+        this.menuItems?.forEach((item) => {
+            item.onDestroy();
+        });
+        this.menuItems = null;
+        if (this.view?.parentNode) {
+            this.view.parentNode.removeChild(this.view);
+        }
+        this.widget = null;
+    }
+    hide() {
+        if (this.intervalID) {
+            clearTimeout(this.intervalID);
+        }
+        if (this.view) {
+            this.view.style.display = 'none';
+        }
+    }
+    show(posX, posY) {
+        const view = this.view;
+        if (!view || !this.widget) {
+            return;
+        }
+        this.widget.appendChild(view);
+        view.style.display = 'block';
+        view.style.position = 'absolute';
+        view.style.left = posX - 8 + 'px';
+        view.style.top = posY - 8 + 'px';
+        view.addEventListener('mouseenter', () => {
+            if (this.intervalID) {
+                clearTimeout(this.intervalID);
+            }
+        });
+        view.addEventListener('mouseleave', () => {
+            if (this.intervalID) {
+                clearTimeout(this.intervalID);
+            }
+            this.intervalID = setTimeout(() => {
+                this.hide();
+            }, 300);
+        });
+    }
+    attach(widget) {
+        this.widget = widget;
+        widget.style.position = 'relative';
+        widget.addEventListener('contextmenu', (event) => {
+            event.preventDefault();
+            event.stopPropagation();
+            const rect = widget.getBoundingClientRect();
+            const x = Math.max(event.clientX - rect.left, 0);
+            const y = Math.max(event.clientY - rect.top, 0);
+            this.show(x, y);
+        });
+    }
+    getView() {
+        if (this.view) {
+            return this.view;
+        }
+        const view = document.createElement('div');
+        view.className = 'jcmolview-dropdown-menu';
+        if (this.menuItems) {
+            this.menuItems.forEach((menuItem) => {
+                const itemView = menuItem.getView();
+                view.appendChild(itemView);
+            });
+        }
+        return view;
+    }
+}
+//# sourceMappingURL=ContextMenu.js.map

package/dist/ui/ContextMenu.js.map

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package/dist/{src/ui → ui}/ContextMenuItem.d.ts

@@ -1,17 +1,18 @@
-export declare class ContextMenuItem {
-    private type;
-    private title;
-    private isChecked;
-    private command;
-    private view;
-    private checkbox;
-    constructor(options: {
-        type: string;
-        title: string;
-        isChecked?: () => void;
-        command?: (event: any) => void;
-    });
-    onDestroy(): void;
-    getView(): any;
-    private updateCheckBox();
-}
+export declare class ContextMenuItem {
+    private type;
+    private title;
+    private isChecked;
+    private command;
+    private view;
+    private checkbox;
+    constructor(options: {
+        type: string;
+        title: string;
+        isChecked?: () => boolean;
+        command?: (event: Event) => void;
+    });
+    onDestroy(): void;
+    getView(): HTMLElement;
+    private updateCheckBox;
+}
+//# sourceMappingURL=ContextMenuItem.d.ts.map

package/dist/ui/ContextMenuItem.d.ts.map

@@ -0,0 +1 @@
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package/dist/ui/ContextMenuItem.js

@@ -0,0 +1,66 @@
+export class ContextMenuItem {
+    constructor(options) {
+        this.type = options.type;
+        this.title = options.title;
+        this.isChecked = options.isChecked;
+        this.command = options.command;
+        this.view = null;
+        this.checkbox = null;
+    }
+    onDestroy() {
+        if (this.view?.parentNode) {
+            this.view.parentNode.removeChild(this.view);
+        }
+    }
+    getView() {
+        if (this.view) {
+            return this.view;
+        }
+        if (this.type === 'delimer' || this.title === '----') {
+            const view = document.createElement('div');
+            view.className = 'jcmolview-dropdown-divider';
+            this.view = view;
+            return view;
+        }
+        if (this.type === 'item') {
+            const view = document.createElement('a');
+            view.className = 'jcmolview-dropdown-item';
+            view.textContent = this.title || '';
+            this.view = view;
+            this.view.addEventListener('click', (event) => {
+                if (this.command) {
+                    this.command(event);
+                }
+            });
+            return view;
+        }
+        if (this.type === 'checkbox') {
+            const view = document.createElement('div');
+            view.className = 'jcmolview-dropdown-item';
+            this.checkbox = document.createElement('input');
+            this.checkbox.type = 'checkbox';
+            this.checkbox.checked = true;
+            this.updateCheckBox();
+            view.appendChild(this.checkbox);
+            view.appendChild(document.createTextNode(this.title || ''));
+            view.addEventListener('click', (event) => {
+                if (this.command) {
+                    this.command(event);
+                }
+                this.updateCheckBox();
+            });
+            this.view = view;
+            return view;
+        }
+        const fallback = document.createElement('div');
+        this.view = fallback;
+        return fallback;
+    }
+    updateCheckBox() {
+        if (this.isChecked && this.checkbox) {
+            const checked = this.isChecked();
+            this.checkbox.checked = checked;
+        }
+    }
+}
+//# sourceMappingURL=ContextMenuItem.js.map

package/dist/ui/ContextMenuItem.js.map

@@ -0,0 +1 @@
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