I have added a new constant in the cdkconstans called TOTAL_RING_BOND_COUNT.

In initialization code of smartquerytool i wrote
//////////////////////////////////////////////////////////////////////////////////
Iterator atomss = atomContainer.atoms();
        while(atomss.hasNext()){
            IAtom atom = (IAtom) atomss.next();
            List allatoms = atomContainer.getConnectedAtomsList(atom);
            int counter=0;
            IAtom any=null;
            for(int i=0;i<allatoms.size ();i++){
                any =(IAtom) allatoms.get(i);
                if(any.getFlag(CDKConstants.ISINRING)){
                    counter++;
                }              
            }
            any.setProperty (CDKConstants.TOTAL_RING_BOND,new Integer(counter));counter=0;

       }
////////////////////////////////////////////////////////////////////////////////////////

every thing is fine upto here i have also checked the property it is set finely for all atoms.
Now i have another class whose method matches is called after the initialization code.

public boolean matches(IAtom atom) {
      System.out.println(atom.getAtomTypeName()+"-->"+atom.getProperty(CDKConstants.TOTAL_RING_BOND));
      Integer total_ring_bond = ((Integer)atom.getProperty( CDKConstants.TOTAL_RING_BOND)).intValue();
      if(Connection_Size == total_ring_bond)
          return true;
      return false;
    }

but here the property is coming 0 for all atoms.

what might be the reason.



--
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sushil ronghe
Center of Pharmacoinformatics
India
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