Files
enviPy-bayer/static/js/ketcher2/script/editor/tool/template.js
2025-06-23 20:13:54 +02:00

259 lines
7.2 KiB
JavaScript

/****************************************************************************
* 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 Set = require('../../util/set');
var Vec2 = require('../../util/vec2');
var Action = require('../action');
var utils = require('./utils');
function TemplateTool(editor, tmpl) {
if (!(this instanceof TemplateTool))
return new TemplateTool(editor, tmpl);
this.editor = editor;
this.editor.selection(null);
this.template = {
aid: parseInt(tmpl.aid) || 0,
bid: parseInt(tmpl.bid) || 0
};
var frag = tmpl.struct;
frag.rescale();
var xy0 = new Vec2();
frag.atoms.each(function (aid, atom) {
xy0.add_(atom.pp); // eslint-disable-line no-underscore-dangle
});
this.template.molecule = frag; // preloaded struct
this.findItems = [];
this.template.xy0 = xy0.scaled(1 / (frag.atoms.count() || 1)); // template center
var atom = frag.atoms.get(this.template.aid);
if (atom) {
this.template.angle0 = utils.calcAngle(atom.pp, this.template.xy0); // center tilt
this.findItems.push('atoms');
}
var bond = frag.bonds.get(this.template.bid);
if (bond) {
this.template.sign = getSign(frag, bond, this.template.xy0); // template location sign against attachment bond
this.findItems.push('bonds');
}
}
TemplateTool.prototype.mousedown = function (event) { // eslint-disable-line max-statements
var editor = this.editor;
var rnd = editor.render;
this.editor.hover(null);
this.dragCtx = {
xy0: rnd.page2obj(event),
item: editor.findItem(event, this.findItems)
};
var dragCtx = this.dragCtx;
var ci = dragCtx.item;
if (!ci) { // ci.type == 'Canvas'
delete dragCtx.item;
} else if (ci.map === 'bonds') {
// calculate fragment center
var molecule = rnd.ctab.molecule;
var xy0 = new Vec2();
var bond = molecule.bonds.get(ci.id);
var frid = molecule.atoms.get(bond.begin).fragment;
var frIds = molecule.getFragmentIds(frid);
var count = 0;
var loop = molecule.halfBonds.get(bond.hb1).loop;
if (loop < 0)
loop = molecule.halfBonds.get(bond.hb2).loop;
if (loop >= 0) {
var loopHbs = molecule.loops.get(loop).hbs;
loopHbs.forEach(function (hb) {
xy0.add_(molecule.atoms.get(molecule.halfBonds.get(hb).begin).pp); // eslint-disable-line no-underscore-dangle
count++;
});
} else {
Set.each(frIds, function (id) {
xy0.add_(molecule.atoms.get(id).pp); // eslint-disable-line no-underscore-dangle
count++;
});
}
dragCtx.v0 = xy0.scaled(1 / count);
var sign = getSign(molecule, bond, dragCtx.v0);
// calculate default template flip
dragCtx.sign1 = sign || 1;
dragCtx.sign2 = this.template.sign;
}
return true;
};
TemplateTool.prototype.mousemove = function (event) { // eslint-disable-line max-statements
var editor = this.editor;
var rnd = editor.render;
if (this.dragCtx) {
var dragCtx = this.dragCtx;
var ci = dragCtx.item;
var pos0;
var pos1 = rnd.page2obj(event);
var angle;
var extraBond;
dragCtx.mouse_moved = true;
var struct = rnd.ctab.molecule;
// calc initial pos and is extra bond needed
if (!ci) { // ci.type == 'Canvas'
pos0 = dragCtx.xy0;
} else if (ci.map === 'atoms') {
pos0 = struct.atoms.get(ci.id).pp;
extraBond = Vec2.dist(pos0, pos1) > 1;
} else if (ci.map === 'bonds') {
var bond = struct.bonds.get(ci.id);
var sign = getSign(struct, bond, pos1);
if (dragCtx.sign1 * this.template.sign > 0)
sign = -sign;
if (sign != dragCtx.sign2 || !dragCtx.action) {
// undo previous action
if ('action' in dragCtx)
dragCtx.action.perform(rnd.ctab);
dragCtx.sign2 = sign;
dragCtx.action = Action.fromTemplateOnBond(rnd.ctab, ci.id, this.template, dragCtx.sign1 * dragCtx.sign2 > 0);
this.editor.update(dragCtx.action, true);
}
return true;
}
angle = utils.calcAngle(pos0, pos1);
if (!event.ctrlKey)
angle = utils.fracAngle(angle);
var degrees = utils.degrees(angle);
// check if anything changed since last time
if (dragCtx.hasOwnProperty('angle') && dragCtx.angle === degrees) {
if (!dragCtx.hasOwnProperty('extra_bond') || dragCtx.extra_bond === extraBond)
return true;
}
// undo previous action
if (dragCtx.action)
dragCtx.action.perform(rnd.ctab);
// create new action
dragCtx.angle = degrees;
if (!ci) { // ci.type == 'Canvas'
dragCtx.action = Action.fromTemplateOnCanvas(
rnd.ctab,
pos0,
angle,
this.template
);
} else if (ci.map === 'atoms') {
dragCtx.action = Action.fromTemplateOnAtom(
rnd.ctab,
ci.id,
angle,
extraBond,
this.template
);
dragCtx.extra_bond = extraBond;
}
this.editor.update(dragCtx.action, true);
return true;
}
this.editor.hover(this.editor.findItem(event, this.findItems));
return true;
};
TemplateTool.prototype.mouseup = function (event) { // eslint-disable-line max-statements
var editor = this.editor;
var rnd = editor.render;
if (this.dragCtx) {
var dragCtx = this.dragCtx;
var ci = dragCtx.item;
var restruct = rnd.ctab;
var struct = restruct.molecule;
if (!dragCtx.action) {
if (!ci) { // ci.type == 'Canvas'
dragCtx.action = Action.fromTemplateOnCanvas(rnd.ctab, dragCtx.xy0, 0, this.template);
} else if (ci.map === 'atoms') {
var degree = restruct.atoms.get(ci.id).a.neighbors.length;
if (degree > 1) { // common case
dragCtx.action = Action.fromTemplateOnAtom(
restruct,
ci.id,
null,
true,
this.template
);
} else if (degree == 1) { // on chain end
var neiId = struct.halfBonds.get(struct.atoms.get(ci.id).neighbors[0]).end;
var atom = struct.atoms.get(ci.id);
var nei = struct.atoms.get(neiId);
var angle = utils.calcAngle(nei.pp, atom.pp);
dragCtx.action = Action.fromTemplateOnAtom(
restruct,
ci.id,
event.ctrlKey ? angle : utils.fracAngle(angle),
false,
this.template
);
} else { // on single atom
dragCtx.action = Action.fromTemplateOnAtom(
restruct,
ci.id,
0,
false,
this.template
);
}
} else if (ci.map === 'bonds') {
dragCtx.action = Action.fromTemplateOnBond(restruct, ci.id, this.template, dragCtx.sign1 * dragCtx.sign2 > 0);
}
this.editor.update(dragCtx.action, true);
}
var action = this.dragCtx.action;
delete this.dragCtx;
if (action && !action.isDummy())
this.editor.update(action);
}
};
TemplateTool.prototype.cancel = TemplateTool.prototype.mouseleave =
TemplateTool.prototype.mouseup;
function getSign(molecule, bond, v) {
var begin = molecule.atoms.get(bond.begin).pp;
var end = molecule.atoms.get(bond.end).pp;
var sign = Vec2.cross(Vec2.diff(begin, end), Vec2.diff(v, end));
if (sign > 0) return 1;
if (sign < 0) return -1;
return 0;
}
module.exports = TemplateTool;