Examples of IAtomContainer


Examples of org.openscience.cdk.interfaces.IAtomContainer

    }
    Assert.assertEquals(2, atomCount);
        Assert.assertEquals(1, bondCount);
    Assert.assertEquals(4, implicitHCount);
   
        IAtomContainer ethylene = panel.getChemModel().getMoleculeSet().getAtomContainer(0);
    Renderer r = panel.getRenderPanel().getRenderer();
    Point2d atompos0=ethylene.getAtom(0).getPoint2d();
    Point2d atompos1=ethylene.getAtom(1).getPoint2d();
    Point2d bondpos = r.toScreenCoordinates((atompos0.x + atompos1.x)/2, (atompos0.y + atompos1.y)/2);
    panel.get2DHub().mouseClickedDown((int)bondpos.x, (int)bondpos.y);
    panel.get2DHub().updateView();
    applet.panel("renderpanel").robot.waitForIdle();
    panel.get2DHub().mouseClickedUp((int)bondpos.x, (int)bondpos.y);
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