net.bioclipse.cdk.ui.handlers.CalculateTanimotoHandler.java Source code

Introduction

Here is the source code for net.bioclipse.cdk.ui.handlers.CalculateTanimotoHandler.java

Source

/*******************************************************************************
 * Copyright (c) 2008 The Bioclipse Project and others. All rights reserved.
 * 
 * This program and the accompanying materials are made available under the
 * terms of the Eclipse Public License v1.0 which accompanies this distribution,
 * and is available at http://www.eclipse.org/legal/epl-v10.html
 * 
 * Contributors:
 *    Stefan Kuhn - Implementation of the tanimoto ui elements
 ******************************************************************************/
package net.bioclipse.cdk.ui.handlers;

import java.text.DecimalFormat;

import net.bioclipse.cdk.business.ICDKManager;
import net.bioclipse.cdk.domain.ICDKMolecule;
import net.bioclipse.cdk.ui.wizards.TanimotoWizard;
import net.bioclipse.core.util.LogUtils;

import org.apache.log4j.Logger;
import org.eclipse.core.commands.AbstractHandler;
import org.eclipse.core.commands.ExecutionEvent;
import org.eclipse.core.commands.ExecutionException;
import org.eclipse.core.resources.IFile;
import org.eclipse.jface.viewers.ISelection;
import org.eclipse.jface.viewers.IStructuredSelection;
import org.eclipse.jface.wizard.WizardDialog;
import org.eclipse.swt.SWT;
import org.eclipse.swt.widgets.MessageBox;
import org.eclipse.swt.widgets.Shell;
import org.eclipse.ui.PlatformUI;

/**
 * A handler for calculating tanimoto similarities
 *
 */
public class CalculateTanimotoHandler extends AbstractHandler {

    private static final Logger logger = Logger.getLogger(CalculateTanimotoHandler.class);

    /* (non-Javadoc)
     * @see org.eclipse.core.commands.AbstractHandler#execute(org.eclipse.core.commands.ExecutionEvent)
     */
    public Object execute(ExecutionEvent event) throws ExecutionException {

        ISelection sel = PlatformUI.getWorkbench().getActiveWorkbenchWindow().getSelectionService().getSelection();
        DecimalFormat formatter = new DecimalFormat("0.00");
        if (!sel.isEmpty()) {
            if (sel instanceof IStructuredSelection) {
                try {
                    IStructuredSelection ssel = (IStructuredSelection) sel;
                    ICDKManager cdkmanager = net.bioclipse.cdk.business.Activator.getDefault().getJavaCDKManager();
                    // In case of two files, we compare each other, else we ask
                    // for a comparision file
                    if (ssel.toArray().length == 2) {
                        ICDKMolecule calculateFor = cdkmanager.loadMolecule((IFile) ssel.toArray()[0]);
                        ICDKMolecule reference = cdkmanager.loadMolecule((IFile) ssel.toArray()[1]);
                        double similarity = cdkmanager.calculateTanimoto(calculateFor, reference);
                        MessageBox mb = new MessageBox(new Shell(), SWT.ICON_INFORMATION | SWT.OK);
                        mb.setText("Similarity");
                        mb.setMessage(((IFile) ssel.toArray()[0]).getName() + " and "
                                + ((IFile) ssel.toArray()[1]).getName() + " similarity: "
                                + formatter.format(similarity * 100) + "%");
                        mb.open();
                    } else {
                        TanimotoWizard wiz = new TanimotoWizard(ssel);
                        WizardDialog dialog = new WizardDialog(
                                PlatformUI.getWorkbench().getActiveWorkbenchWindow().getShell(), wiz);
                        dialog.open();
                    }
                } catch (Exception ex) {
                    LogUtils.handleException(ex, logger);
                }
            }
        }
        return null;
    }
}