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AddHydrogenEdit.java

/* $RCSfile$
 * $Author: egonw $
 * $Date: 2007-05-01 21:15:34 +0200 (Tue, 01 May 2007) $
 * $Revision: 8292 $
 *
 * Copyright (C) 2005-2007  The Chemistry Development Kit (CDK) project
 *
 * Contact: cdk-devel@lists.sourceforge.net
 *
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 *
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
 */
package org.openscience.cdk.applications.undoredo;

import java.util.HashMap;
import java.util.Iterator;
import java.util.Set;

import javax.swing.undo.AbstractUndoableEdit;
import javax.swing.undo.CannotRedoException;
import javax.swing.undo.CannotUndoException;

import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IBond;
import org.openscience.cdk.interfaces.IChemModel;
import org.openscience.cdk.interfaces.IMolecule;
import org.openscience.cdk.interfaces.IMoleculeSet;
import org.openscience.cdk.graph.ConnectivityChecker;
import org.openscience.cdk.tools.manipulator.ChemModelManipulator;

/**
 * Undo/Redo Edit class for the AddHydrogenAction, containing the methods for
 * undoing and redoing the regarding changes
 * 
 * @author tohel
 * @cdk.module control
 */
00050 public class AddHydrogenEdit extends AbstractUndoableEdit {

    private static final long serialVersionUID = -6007429589296415034L;

    private IAtomContainer changedAtomsAndBonds = null;

      private IChemModel model;

      private HashMap hydrogenAtomMap = null;

      /**
       * Constructor for explicit hydrogen addition
       * 
       * @param model
       *            The chemModel been changed
       * @param changedAtomsAndBonds
       *            An Atomcontainer containing the changed atoms and bonds
       */
00068       public AddHydrogenEdit(IChemModel model, IAtomContainer changedAtomsAndBonds) {
            this.changedAtomsAndBonds = changedAtomsAndBonds;
            this.model = model;
      }

      /**
       * Constructor for implicit hydrogen addition
       * 
       * @param model2
       *            The chemModel been changed
       * @param hydrogenAtomMap
       *            A HashMap containing the changed atoms as keys and an Array
       *            with the former and the new hydrogen count
       */
00082       public AddHydrogenEdit(IChemModel model2, HashMap hydrogenAtomMap) {
            this.model = model2;
            this.hydrogenAtomMap = hydrogenAtomMap;
      }

      /*
       * (non-Javadoc)
       * 
       * @see javax.swing.undo.UndoableEdit#redo()
       */
      public void redo() throws CannotRedoException {
            if (changedAtomsAndBonds != null) {
                  redoExplicitHydrogenAdding();
            } else if (hydrogenAtomMap != null) {
                  redoImplicitHydrogenAdding();
            }
      }

      /*
       * (non-Javadoc)
       * 
       * @see javax.swing.undo.UndoableEdit#undo()
       */
      public void undo() throws CannotUndoException {
            if (changedAtomsAndBonds != null) {
                  undoExplicitHydrogenAdding();
            } else if (hydrogenAtomMap != null) {
                  undoImplicitHydrogenAdding();
            }
      }

      /**
       * Method realising the redo of implicit hydrogen addition
       */
00116       private void redoImplicitHydrogenAdding() {
            Set keys = hydrogenAtomMap.keySet();
            Iterator it = keys.iterator();
            while (it.hasNext()) {
                  IAtom atom = (IAtom) it.next();
                  int[] hydrogens = (int[]) hydrogenAtomMap.get(atom);
                  atom.setHydrogenCount(hydrogens[1]);
            }

      }

      /**
       * Method realising the undo of implicit hydrogen addition
       */
00130       private void undoImplicitHydrogenAdding() {
            Set keys = hydrogenAtomMap.keySet();
            Iterator it = keys.iterator();
            while (it.hasNext()) {
                  IAtom atom = (IAtom) it.next();
                  int[] hydrogens = (int[]) hydrogenAtomMap.get(atom);
                  atom.setHydrogenCount(hydrogens[0]);
            }
      }

      /**
       * Method realising the redo of explicit hydrogen addition
       */
00143       private void redoExplicitHydrogenAdding() {
            if (model.getMoleculeSet() != null) {
                  IAtomContainer container = model.getBuilder().newAtomContainer();
            Iterator containers = ChemModelManipulator.getAllAtomContainers(model).iterator();
            while (containers.hasNext()) {
                  container.add((IAtomContainer)containers.next());
            }
                  for (int i = 0; i < changedAtomsAndBonds.getAtomCount(); i++) {
                        container.addAtom(changedAtomsAndBonds.getAtom(i));
                  }
                  for (int i = 0; i < changedAtomsAndBonds.getBondCount(); i++) {
                        IBond bond = changedAtomsAndBonds.getBond(i);
                        container.addBond(bond);
                  }
                  IMolecule molecule = container.getBuilder().newMolecule(container);
                  IMoleculeSet moleculeSet = ConnectivityChecker
                              .partitionIntoMolecules(molecule);
                  model.setMoleculeSet(moleculeSet);
            }
      }

      /**
       * Method realising the undo of explicit hydrogen addition
       */
00167       private void undoExplicitHydrogenAdding() {
            if (model.getMoleculeSet() != null) {
                  for (int i = 0; i < changedAtomsAndBonds.getAtomCount(); i++) {
                        IAtomContainer container = ChemModelManipulator
                                    .getRelevantAtomContainer(model, changedAtomsAndBonds
                                                .getAtom(i));
                        container.removeAtom(changedAtomsAndBonds.getAtom(i));
                  }
                  for (int i = 0; i < changedAtomsAndBonds.getBondCount(); i++) {
                        IBond bond = changedAtomsAndBonds.getBond(i);
                        IAtomContainer container = ChemModelManipulator
                                    .getRelevantAtomContainer(model, changedAtomsAndBonds
                                                .getBond(i));
                        container.removeBond(bond.getAtom(0), bond.getAtom(1));
                  }
            }

      }

      /*
       * (non-Javadoc)
       * 
       * @see javax.swing.undo.UndoableEdit#canRedo()
       */
      public boolean canRedo() {
            return true;
      }

      /*
       * (non-Javadoc)
       * 
       * @see javax.swing.undo.UndoableEdit#canUndo()
       */
      public boolean canUndo() {
            return true;
      }

      /*
       * (non-Javadoc)
       * 
       * @see javax.swing.undo.UndoableEdit#getPresentationName()
       */
      public String getPresentationName() {
            return "addHydrogen";
      }

}

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