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Open Source Chemistry Library
/*
* Copyright (c) 1997 - 2016
* Actelion Pharmaceuticals Ltd.
* Gewerbestrasse 16
* CH-4123 Allschwil, Switzerland
*
* All rights reserved.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer.
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
* 3. Neither the name of the the copyright holder nor the
* names of its contributors may be used to endorse or promote products
* derived from this software without specific prior written permission.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*
*/
package com.actelion.research.share.gui.editor.actions;
import com.actelion.research.chem.Molecule;
import com.actelion.research.chem.StereoMolecule;
import com.actelion.research.gui.generic.GenericPoint;
import com.actelion.research.share.gui.editor.Model;
import com.actelion.research.share.gui.editor.geom.ICursor;
import com.actelion.research.share.gui.editor.geom.IDrawContext;
import com.actelion.research.share.gui.editor.io.IMouseEvent;
/**
* Project:
* User: rufenec
* Date: 3/26/13
* Time: 3:42 PM
*/
public class NewChainAction extends BondHighlightAction {
private int sourceAtom = -1;
private int numChainAtoms = 0;
private double[] mChainAtomX = null;
private double[] mChainAtomY = null;
private int[] mChainAtom = null;
public NewChainAction(Model model) {
super(model);
}
public boolean onMouseDown(IMouseEvent evt) {
GenericPoint pt = new GenericPoint(evt.getX(), evt.getY());
StereoMolecule mol = model.getMolecule();
boolean update = false;
origin = pt;
sourceAtom = findAtom(mol, pt);
if (sourceAtom != -1) {
//if (mol != null)
{
if (mol.getAllConnAtoms(sourceAtom) == Model.MAX_CONNATOMS) {
return false;
}
origin = new GenericPoint(mol.getAtomX(sourceAtom), mol.getAtomY(sourceAtom));
update = true;
numChainAtoms = 0;
mChainAtomX = null;
mChainAtomY = null;
mChainAtom = null;
}
} else {
origin = new GenericPoint(evt.getX(), evt.getY());
update = true;
numChainAtoms = 0;
mChainAtomX = null;
mChainAtomY = null;
mChainAtom = null;
}
return update;
}
public boolean onMouseUp(IMouseEvent evt) {
boolean ok = false;
model.pushUndo();
GenericPoint pt = new GenericPoint(evt.getX(), evt.getY());
StereoMolecule mol = model.getMolecule();
if (numChainAtoms == 0) {
mol = model.getMoleculeAt(pt, false);
if (mol != null) {
int atom = model.getSelectedAtom();
if (atom != -1) {
addSingleBondAtAtom(mol, atom);
}
}
} else if (numChainAtoms > 0) {
if (sourceAtom == -1) {
sourceAtom = mol.addAtom((float) origin.getX(), (float) origin.getY());
}
if (mChainAtom[0] == -1) {
mChainAtom[0] = mol.addAtom((float) mChainAtomX[0], (float) mChainAtomY[0]);
}
if (mChainAtom[0] != -1) {
mol.addBond(sourceAtom, mChainAtom[0]);
}
if(model.isReaction())
model.needsLayout(true);
}
if (numChainAtoms > 1) {
for (int i = 1; i < numChainAtoms; i++) {
if (mChainAtom[i] == -1) {
mChainAtom[i] = mol.addAtom((float) mChainAtomX[i], (float) mChainAtomY[i]);
}
if (mChainAtom[i] != -1) {
mol.addBond(mChainAtom[i - 1], mChainAtom[i]);
}
}
if(model.isReaction())
model.needsLayout(true);
}
highlightAtom(mol, -1);
ok = true;
dragging = false;
return ok;
}
private void addSingleBondAtAtom(StereoMolecule mol, int atom) {
GenericPoint p = suggestNewX2AndY2(atom);
int targetAtom = mol.findAtom((float) p.getX(), (float) p.getY());
if (targetAtom != -1) {
mol.addOrChangeBond(atom, targetAtom, mol.suggestBondType(atom, targetAtom));
} else {
targetAtom = mol.addAtom((float) p.getX(), (float) p.getY(), 0.0f);
mol.addBond(atom, targetAtom, mol.suggestBondType(atom, targetAtom));
mol.ensureHelperArrays(Molecule.cHelperNeighbours);
}
}
@Override
protected boolean onDrag(GenericPoint pt) {
StereoMolecule mol = model.getMolecule();
boolean repaintNeeded = false;
if (mol != null) {
double lastX, lastY;
if (numChainAtoms > 0) {
lastX = mChainAtomX[numChainAtoms - 1];
lastY = mChainAtomY[numChainAtoms - 1];
} else {
lastX = 0.0;
lastY = 0.0;
}
double avbl = mol.getAverageBondLength();
double s0 = avbl;//.floor();
double s1 = (0.866 * avbl);//.floor();
double s2 = (0.5 * avbl);//.floor();
double dx = pt.getX() - origin.getX();
double dy = pt.getY() - origin.getY();
double a = 1.0;// sqrt(avbl/2*avbl/2);
double b = 1.0;//sqrt(avbl/2*avbl/2);
if (Math.abs(dy) > Math.abs(dx)) {
numChainAtoms = (int) (2 * Math.abs(dy) / (s0 + s2));
if ((int) Math.abs(dy) % (int) (s0 + s2) > s0) {
numChainAtoms++;
}
mChainAtomX = new double[numChainAtoms];
mChainAtomY = new double[numChainAtoms];
if (pt.getX() < origin.getX()) {
b = -b;
}
if (pt.getY() < origin.getY()) {
a = -a;
}
if (numChainAtoms > 0) {
mChainAtomX[0] = origin.getX() + s1 * b;
mChainAtomY[0] = origin.getY() + s2 * a;
for (int i = 1; i < numChainAtoms; i++) {
if ((i & 1) == 0) {
mChainAtomX[i] = mChainAtomX[i - 1] + s0 * b;
mChainAtomY[i] = mChainAtomY[i - 1] + s2 * a;
} else {
mChainAtomX[i] = mChainAtomX[i - 1];
mChainAtomY[i] = mChainAtomY[i - 1] + s0 * a;
}
}
}
} else {
numChainAtoms = (int) (Math.abs(dx) / s1);
mChainAtomX = new double[numChainAtoms];
mChainAtomY = new double[numChainAtoms];
if (pt.getX() < origin.getX()) {
s1 = -s1;
}
if (pt.getY() < origin.getY()) {
s2 = -s2;
}
for (int i = 0; i < numChainAtoms; i++) {
mChainAtomX[i] = origin.getX() + (i + 1) * s1;
mChainAtomY[i] = origin.getY();
if ((i & 1) == 0) {
mChainAtomY[i] += s2;
}
}
}
if (numChainAtoms > 0) {
mChainAtom = new int[numChainAtoms];
for (int i = 0; i < numChainAtoms; i++) {
mChainAtom[i] = mol.findAtom((float) mChainAtomX[i], (float) mChainAtomY[i]);
if (mChainAtom[i] != -1) {
mChainAtomX[i] = mol.getAtomX(mChainAtom[i]);
mChainAtomY[i] = mol.getAtomY(mChainAtom[i]);
}
}
if (mChainAtomX[numChainAtoms - 1] != lastX
|| mChainAtomY[numChainAtoms - 1] != lastY) {
repaintNeeded = true;
}
} else if (lastX != 0 || lastY != 0) {
repaintNeeded = true;
}
}
return repaintNeeded;
}
@Override
public boolean paint(IDrawContext ctx) {
StereoMolecule mol = model.getMolecule();
if (mol != null) {
if (!dragging) {
super.paint(ctx);
} else {
int theAtom = model.getSelectedAtom();
drawChain(ctx, theAtom != -1 ? new GenericPoint(mol.getAtomX(theAtom), mol.getAtomY(theAtom)) : origin);
}
}
return false;
}
private void drawChain(IDrawContext ctx, GenericPoint pt) {
if (numChainAtoms > 0) {
drawLine(ctx, pt.getX(), pt.getY(), mChainAtomX[0], mChainAtomY[0]);
}
if (numChainAtoms > 1) {
for (int i = 1; i < numChainAtoms; i++) {
drawLine(ctx, mChainAtomX[i - 1], mChainAtomY[i - 1], mChainAtomX[i], mChainAtomY[i]);
}
}
}
void drawLine(IDrawContext _ctx, double x1, double y1, double x2, double y2) {
_ctx.drawLine(x1, y1, x2, y2);
}
@Override
public int getCursor() {
return ICursor.TOOL_CHAINCURSOR;
}
}