Examples of addAtom()

Examples of org.openscience.cdk.interfaces.IMolecule.addAtom()

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    if(mol == null && request.getParameter("element") != null && (request.getParameter("element").length() > 0)) {
      String elemSymbol = request.getParameter("element");
      Atom a = new Atom(elemSymbol);
      a.setPoint2d(new Point2d(0.0, 0.0));
      mol = new Molecule();
      mol.addAtom(a);
      makeStructure = false;
    }
   
    if (mol == null){
      response.setContentType("text/plain");
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Examples of org.openscience.jchempaint.renderer.selection.RectangleSelection.addAtom()

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        applet.button("select").click();
        panel.get2DHub().updateView();
        applet.panel("renderpanel").robot.waitForIdle();
    IAtomContainer ethane = panel.getChemModel().getMoleculeSet().getAtomContainer(0);
        RectangleSelection sel = new RectangleSelection();
        sel.addAtom (ethane.getAtom(0));
        sel.addBond(ethane.getBond(0));
        panel.getRenderPanel().getRenderer().getRenderer2DModel().setSelection(sel);
        panel.selectionChanged();
        try {
      applet.button("cut").click();
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