Current Dev State

static/js/ketcher2/script/editor/tool/bond.js

@@ -0,0 +1,171 @@
+/****************************************************************************
+ * Copyright 2017 EPAM Systems
+ *
+ * Licensed under the Apache License, Version 2.0 (the "License");
+ * you may not use this file except in compliance with the License.
+ * You may obtain a copy of the License at
+ *
+ *    http://www.apache.org/licenses/LICENSE-2.0
+ *
+ * Unless required by applicable law or agreed to in writing, software
+ * distributed under the License is distributed on an "AS IS" BASIS,
+ * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+ * See the License for the specific language governing permissions and
+ * limitations under the License.
+ ***************************************************************************/
+
+var Vec2 = require('../../util/vec2');
+var Struct = require('../../chem/struct');
+var Action = require('../action');
+var utils = require('./utils');
+
+function BondTool(editor, bondProps) {
+	if (!(this instanceof BondTool)) {
+		// Action.fromBondAttrs(editor.render.ctab,
+		// editor.selection().bonds, {
+		// type: bondType(mode).type,
+		// stereo: Bond.PATTERN.STEREO.NONE })
+		editor.selection(null);
+		return new BondTool(editor, bondProps);
+	}
+
+	this.editor = editor;
+	this.atomProps = { label: 'C' };
+	this.bondProps = bondProps;
+}
+
+BondTool.prototype.mousedown = function (event) {
+	var rnd = this.editor.render;
+	this.editor.hover(null);
+	this.dragCtx = {
+		xy0: rnd.page2obj(event),
+		item: this.editor.findItem(event, ['atoms', 'bonds'])
+	};
+	if (!this.dragCtx.item) // ci.type == 'Canvas'
+		delete this.dragCtx.item;
+	return true;
+};
+
+BondTool.prototype.mousemove = function (event) { // eslint-disable-line max-statements
+	var editor = this.editor;
+	var rnd = editor.render;
+	if ('dragCtx' in this) {
+		var dragCtx = this.dragCtx;
+		if (!('item' in dragCtx) || dragCtx.item.map === 'atoms') {
+			if ('action' in dragCtx)
+				dragCtx.action.perform(rnd.ctab);
+			var i1, i2, p1, p2;
+			if (('item' in dragCtx && dragCtx.item.map === 'atoms')) {
+				// first mousedown event intersect with any atom
+				i1 = dragCtx.item.id;
+				i2 = editor.findItem(event, ['atoms'], dragCtx.item);
+			} else {
+				// first mousedown event intersect with any canvas
+				i1 = this.atomProps;
+				p1 = dragCtx.xy0;
+				i2 = editor.findItem(event, ['atoms']);
+			}
+			var dist = Number.MAX_VALUE;
+			if (i2 && i2.map === 'atoms') {
+				// after mousedown events is appered, cursor is moved and then cursor intersects any atoms
+				i2 = i2.id;
+			} else {
+				i2 = this.atomProps;
+				var xy1 = rnd.page2obj(event);
+				dist = Vec2.dist(dragCtx.xy0, xy1);
+				if (p1) {
+					// rotation only, leght of bond = 1;
+					p2 = utils.calcNewAtomPos(p1, xy1);
+				} else {
+					// first mousedown event intersect with any atom and
+					// rotation only, leght of bond = 1;
+					var atom = rnd.ctab.molecule.atoms.get(i1);
+					p1 = utils.calcNewAtomPos(atom.pp.get_xy0(), xy1);
+				}
+			}
+			// don't rotate the bond if the distance between the start and end point is too small
+			if (dist > 0.3)
+				dragCtx.action = Action.fromBondAddition(rnd.ctab, this.bondProps, i1, i2, p1, p2)[0];
+			else
+				delete dragCtx.action;
+			this.editor.update(dragCtx.action, true);
+			return true;
+		}
+	}
+	this.editor.hover(this.editor.findItem(event, ['atoms', 'bonds']));
+	return true;
+};
+
+BondTool.prototype.mouseup = function (event) { // eslint-disable-line max-statements
+	if ('dragCtx' in this) {
+		var dragCtx = this.dragCtx;
+		var rnd = this.editor.render;
+		var struct = rnd.ctab.molecule;
+		if ('action' in dragCtx) {
+			this.editor.update(dragCtx.action);
+		} else if (!('item' in dragCtx)) {
+			var xy = rnd.page2obj(event);
+			var v = new Vec2(1.0 / 2, 0).rotate(
+				this.bondProps.type == Struct.Bond.PATTERN.TYPE.SINGLE ? -Math.PI / 6 : 0
+			);
+			var bondAddition = Action.fromBondAddition(rnd.ctab,
+				this.bondProps, { label: 'C' }, { label: 'C' },
+			    Vec2.diff(xy, v), Vec2.sum(xy, v));
+
+			this.editor.update(bondAddition[0]);
+		} else if (dragCtx.item.map === 'atoms') {
+			// when does it hapend?
+			this.editor.update(Action.fromBondAddition(rnd.ctab, this.bondProps, dragCtx.item.id)[0]);
+		} else if (dragCtx.item.map === 'bonds') {
+			var bondProps = Object.assign({}, this.bondProps);
+			var bond = struct.bonds.get(dragCtx.item.id);
+
+			this.editor.update(bondChangingAction(rnd.ctab, dragCtx.item.id, bond, bondProps));
+		}
+		delete this.dragCtx;
+	}
+	return true;
+};
+
+/**
+ * @param itemID - bond id in structure
+ * @param bond - bond for change
+ * @param bondProps - bondTool properties
+ * @returns Action
+ */
+function bondChangingAction(restruct, itemID, bond, bondProps) {
+	if (bondProps.stereo !== Struct.Bond.PATTERN.STEREO.NONE && //
+		bondProps.type === Struct.Bond.PATTERN.TYPE.SINGLE &&
+		bond.type === bondProps.type && bond.stereo === bondProps.stereo)
+	// if bondTool is stereo and equal to bond for change
+		return Action.fromBondFlipping(restruct, itemID);
+
+	var loop = plainBondTypes.indexOf(bondProps.type) >= 0 ? plainBondTypes : null;
+	if (bondProps.stereo === Struct.Bond.PATTERN.STEREO.NONE &&
+		bondProps.type === Struct.Bond.PATTERN.TYPE.SINGLE &&
+		bond.stereo === Struct.Bond.PATTERN.STEREO.NONE &&
+		loop)
+	// if `Single bond` tool is chosen and bond for change in `plainBondTypes`
+		bondProps.type = loop[(loop.indexOf(bond.type) + 1) % loop.length];
+
+	return Action.fromBondAttrs(restruct, itemID, bondProps,
+		bondFlipRequired(restruct.molecule, bond, bondProps));
+}
+
+function bondFlipRequired(struct, bond, attrs) {
+	return attrs.type == Struct.Bond.PATTERN.TYPE.SINGLE &&
+		   bond.stereo == Struct.Bond.PATTERN.STEREO.NONE &&
+		   attrs.stereo != Struct.Bond.PATTERN.STEREO.NONE &&
+		   struct.atoms.get(bond.begin).neighbors.length <
+		   struct.atoms.get(bond.end).neighbors.length;
+}
+
+var plainBondTypes = [
+	Struct.Bond.PATTERN.TYPE.SINGLE,
+	Struct.Bond.PATTERN.TYPE.DOUBLE,
+	Struct.Bond.PATTERN.TYPE.TRIPLE
+];
+
+module.exports = Object.assign(BondTool, {
+	bondChangingAction: bondChangingAction
+});