Current Dev State

static/js/ketcher2/script/render/restruct/reloop.js

@@ -0,0 +1,124 @@
+/****************************************************************************
+ * 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 Visel = require('./visel');
+var ReObject = require('./reobject');
+var scale = require('../../util/scale');
+var util = require('../util');
+var Struct = require('../../chem/struct');
+
+var tfx = util.tfx;
+
+function ReLoop(loop) {
+	this.loop = loop;
+	this.visel = new Visel('loop');
+	this.centre = new Vec2();
+	this.radius = new Vec2();
+}
+ReLoop.prototype = new ReObject();
+ReLoop.isSelectable = function () {
+	return false;
+};
+
+ReLoop.prototype.show = function (restruct, rlid, options) { // eslint-disable-line max-statements
+	var render = restruct.render;
+	var paper = render.paper;
+	var molecule = restruct.molecule;
+	var loop = this.loop;
+	this.centre = new Vec2();
+	loop.hbs.forEach(function (hbid) {
+		var hb = molecule.halfBonds.get(hbid);
+		var bond = restruct.bonds.get(hb.bid);
+		var apos = scale.obj2scaled(restruct.atoms.get(hb.begin).a.pp, options);
+		if (bond.b.type !== Struct.Bond.PATTERN.TYPE.AROMATIC)
+			loop.aromatic = false;
+		this.centre.add_(apos); // eslint-disable-line no-underscore-dangle
+	}, this);
+	loop.convex = true;
+	for (var k = 0; k < this.loop.hbs.length; ++k) {
+		var hba = molecule.halfBonds.get(loop.hbs[k]);
+		var hbb = molecule.halfBonds.get(loop.hbs[(k + 1) % loop.hbs.length]);
+		var angle = Math.atan2(
+			Vec2.cross(hba.dir, hbb.dir),
+			Vec2.dot(hba.dir, hbb.dir));
+		if (angle > 0)
+			loop.convex = false;
+	}
+
+	this.centre = this.centre.scaled(1.0 / loop.hbs.length);
+	this.radius = -1;
+	loop.hbs.forEach(function (hbid) {
+		var hb = molecule.halfBonds.get(hbid);
+		var apos = scale.obj2scaled(restruct.atoms.get(hb.begin).a.pp, options);
+		var bpos = scale.obj2scaled(restruct.atoms.get(hb.end).a.pp, options);
+		var n = Vec2.diff(bpos, apos).rotateSC(1, 0).normalized();
+		var dist = Vec2.dot(Vec2.diff(apos, this.centre), n);
+		this.radius = (this.radius < 0) ? dist : Math.min(this.radius, dist);
+	}, this);
+	this.radius *= 0.7;
+	if (!loop.aromatic)
+		return;
+	var path = null;
+	if (loop.convex && options.aromaticCircle) {
+		path = paper.circle(this.centre.x, this.centre.y, this.radius)
+			.attr({
+				'stroke': '#000',
+				'stroke-width': options.lineattr['stroke-width']
+			});
+	} else {
+		var pathStr = '';
+		for (k = 0; k < loop.hbs.length; ++k) {
+			hba = molecule.halfBonds.get(loop.hbs[k]);
+			hbb = molecule.halfBonds.get(loop.hbs[(k + 1) % loop.hbs.length]);
+			angle = Math.atan2(
+				Vec2.cross(hba.dir, hbb.dir),
+				Vec2.dot(hba.dir, hbb.dir));
+			var halfAngle = (Math.PI - angle) / 2;
+			var dir = hbb.dir.rotate(halfAngle);
+			var pi = scale.obj2scaled(restruct.atoms.get(hbb.begin).a.pp, options);
+			var sin = Math.sin(halfAngle);
+			var minSin = 0.1;
+			if (Math.abs(sin) < minSin)
+				sin = sin * minSin / Math.abs(sin);
+			var offset = options.bondSpace / sin;
+			var qi = pi.addScaled(dir, -offset);
+			pathStr += (k === 0 ? 'M' : 'L');
+			pathStr += tfx(qi.x) + ',' + tfx(qi.y);
+		}
+		pathStr += 'Z';
+		path = paper.path(pathStr)
+			.attr({
+				'stroke': '#000',
+				'stroke-width': options.lineattr['stroke-width'],
+				'stroke-dasharray': '- '
+			});
+	}
+	restruct.addReObjectPath('data', this.visel, path, null, true);
+};
+
+ReLoop.prototype.isValid = function (struct, rlid) {
+	var halfBonds = struct.halfBonds;
+	var loop = this.loop;
+	var bad = false;
+	loop.hbs.forEach(function (hbid) {
+		if (!halfBonds.has(hbid) || halfBonds.get(hbid).loop !== rlid)
+			bad = true;
+	}, this);
+	return !bad;
+};
+
+module.exports = ReLoop;