Package org.openscience.jchempaint

Examples of org.openscience.jchempaint.JChemPaintPanel

221
222
223
224
225
226
227
228
229
230
231
232
233
234
            AbstractJChemPaintPanel jcpPanel, boolean debug) {
        try {
            IChemModel chemModel = JChemPaint.readFromFile(inFile, type, jcpPanel);

            String name = inFile.getName();
            JChemPaintPanel p = JChemPaint.showInstance(chemModel, name, debug);
            p.setCurrentWorkDirectory(inFile.getParentFile());
            p.setLastOpenedFile(inFile);
            p.setIsAlreadyAFile(inFile);
        } catch (CDKException ex) {
            JOptionPane.showMessageDialog(jcpPanel, ex.getMessage());
            return;
        } catch (FileNotFoundException e) {
            JOptionPane.showMessageDialog(jcpPanel, GT.get("File does not exist")
View Full Code Here
241
242
243
244
245
246
247
248
249
250
251
252
253
254
            String title, boolean debug) {
        JFrame f = new JFrame(title + " - JChemPaint");
        chemModel.setID(title);
        f.addWindowListener(new JChemPaintPanel.AppCloser());
        f.setDefaultCloseOperation(JFrame.DO_NOTHING_ON_CLOSE);
        JChemPaintPanel p = new JChemPaintPanel(chemModel, GUI_APPLICATION, debug, null, new ArrayList<String>());
        p.updateStatusBar();
        f.setPreferredSize(new Dimension(800, 494));    //1.618
        f.setJMenuBar(p.getJMenuBar());
        f.add(p);
        f.pack();
        Point point = GraphicsEnvironment.getLocalGraphicsEnvironment()
                .getCenterPoint();
        int w2 = (f.getWidth() / 2);
View Full Code Here
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
*/
public class Issue32Test extends AbstractAppletTest {

    @Test public void testIssue32() throws AWTException {
        JPanelFixture jcppanel=applet.panel("appletframe");
        JChemPaintPanel panel = (JChemPaintPanel)jcppanel.target;
        applet.button("C").click();
        applet.button("bondTool").click();
        applet.panel("renderpanel").robot.click(applet.panel("renderpanel").component(),new Point(100,100));
    IAtomContainer ethane = panel.getChemModel().getMoleculeSet().getAtomContainer(0);
    IAtomContainer selected = ethane.getBuilder().newInstance(IAtomContainer.class);
    selected.addAtom(ethane.getAtom(0));
    panel.getRenderPanel().getHub().deleteFragment(selected);
       
        /*
        applet.button("C").click();
        applet.button("bondTool").click();
        applet.panel("renderpanel").robot.click(applet.panel("renderpanel").component(),new Point(100,100));
        applet.button("select").click();
    Point2d p1 = panel.getChemModel().getMoleculeSet().getAtomContainer(0).getAtom(0).getPoint2d();
    Point2d p2 = panel.getChemModel().getMoleculeSet().getAtomContainer(0).getAtom(0).getPoint2d();
    double d = p2.x - p1.x;
    Point2d moveto=panel.getRenderPanel().getRenderer().toScreenCoordinates((p1.x+p2.x)/2, p1.y+d);
        applet.panel("renderpanel").robot.moveMouse((int)moveto.x, (int)moveto.y);
        applet.panel("renderpanel").robot.pressMouse(MouseButton.LEFT_BUTTON);
        robot.delay(1000);
    moveto=panel.getRenderPanel().getRenderer().toScreenCoordinates(p1.x-d/2, p1.y-d);
        applet.panel("renderpanel").robot.moveMouse((int)moveto.x, (int)moveto.y);
        robot.delay(1000);
        applet.panel("renderpanel").robot.releaseMouseButtons();
*/

        int atomCount=0, hCount=0;
    for(IAtomContainer atc : panel.getChemModel().getMoleculeSet().atomContainers()) {
      atomCount+=atc.getAtomCount();
      hCount+=atc.getAtom(0).getImplicitHydrogenCount().intValue();
    }
    Assert.assertEquals(1, atomCount);
    Assert.assertEquals(4, hCount);
View Full Code Here
40
41
42
43
44
45
46
47
48
49
50
51
  public void init() {
    super.init();
    IChemModel chemModel = DefaultChemObjectBuilder.getInstance().newInstance(IChemModel.class);
    chemModel.setMoleculeSet(chemModel.getBuilder().newInstance(IAtomContainerSet.class));
    chemModel.getMoleculeSet().addAtomContainer(chemModel.getBuilder().newInstance(IAtomContainer.class));
    JChemPaintPanel p = new JChemPaintPanel(chemModel,GUI_APPLET,debug,this, this.blacklist);
    p.setName("appletframe");
    p.setShowInsertTextField(true);
    p.setShowStatusBar(false);
    setTheJcpp(p);
    this.add(p);
  }
View Full Code Here
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
                    while(!(applet instanceof JChemPaintEditorApplet || applet instanceof JChemPaintViewerApplet)){
                        applet=applet.getParent();
                    }
                    if (e.getButton() == 1 && e.getClickCount() == 2 && applet instanceof JChemPaintViewerApplet)
                        if (!getJexf().isShowing()) {
                            final JChemPaintPanel p = new JChemPaintPanel(theJcpp.getChemModel(),JChemPaintEditorApplet.GUI_APPLET,debug,JChemPaintAbstractApplet.this, blacklist);
                            p.setName("appletframe");
                            p.setShowInsertTextField(false);
                            p.setShowStatusBar(false);
                            p.getChemModel().setID("JChemPaint Editor");
                            getJexf();
                            jexf.setTitle("JChemPaint Editor");
                            jexf.add(p);
                            jexf.pack();
                            jexf.setVisible(true);
                            jexf.addWindowListener(new WindowAdapter(){
                                public void windowClosing(WindowEvent e) {
                                    JChemPaintAbstractApplet.this.setChemModel(p.getChemModel());
                                }
                            });
                        }
                }
            });
View Full Code Here
TOP

Related Classes of org.openscience.jchempaint.JChemPaintPanel

  • org.openscience.cdk.config.IsotopeFactory
  • org.openscience.cdk.interfaces.IAtom
  • org.openscience.cdk.interfaces.IAtomContainer
  • org.openscience.cdk.interfaces.IIsotope
  • org.openscience.cdk.renderer.selection.IChemObjectSelection
  • org.openscience.jchempaint.applet.JChemPaintAbstractApplet
  • org.openscience.jchempaint.applet.JChemPaintEditorApplet
  • org.openscience.jchempaint.application.JChemPaint
  • org.openscience.jchempaint.controller.ControllerHub
  • org.openscience.jchempaint.Issue32Test
    • Copyright © 2018 www.massapicom. All rights reserved.
    All source code are property of their respective owners. Java is a trademark of Sun Microsystems, Inc and owned by ORACLE Inc. Contact coftware#gmail.com.