DepictTest.java

package net.guha.apps.test;

import junit.framework.Assert;
import net.claribole.zgrviewer.ConfigManager;
import net.guha.apps.Renderer2DPanel;
import net.guha.apps.ViewMolecules2D;
import org.openscience.cdk.DefaultChemObjectBuilder;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IMolecule;
import org.openscience.cdk.layout.StructureDiagramGenerator;
import org.openscience.cdk.layout.TemplateHandler;
import org.openscience.cdk.smiles.SmilesParser;

import javax.swing.*;
import java.awt.event.ComponentListener;
import java.awt.event.ComponentEvent;

/**
 * @cdk.author Rajarshi Guha
 * @cdk.svnrev $Revision: 9162 $
 */
public class DepictionTest {

    SmilesParser smilesParser;
    StructureDiagramGenerator sdg;

    public DepictionTest() {
        smilesParser = new SmilesParser(DefaultChemObjectBuilder.getInstance());
        sdg = new StructureDiagramGenerator();
        sdg.setTemplateHandler(new TemplateHandler(DefaultChemObjectBuilder.getInstance()));
    }


    public void runCase1() throws Exception {
        String smiles = "c1ccccn1";
        IAtomContainer molecule = smilesParser.parseSmiles(smiles);
        sdg.setMolecule((IMolecule) molecule);
        sdg.generateCoordinates();
        molecule = sdg.getMolecule();

        Renderer2DPanel rendererPanel = new Renderer2DPanel(molecule, null,
                ConfigManager.depictionX, ConfigManager.depictionY, false,
                "Blah", 1.23);
        JFrame frame = ViewMolecules2D.singleStructurePanel(rendererPanel, 300, 300);
        frame.setVisible(true);
    }

    public static void main(String[] args) throws Exception {
        DepictionTest dt = new DepictionTest();
        dt.runCase1();

    }

}