Package org.openscience.cdk.interfaces

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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