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void org::openscience::cdk::modeling::builder3d::MM2BasedParameterSetReader::setvdWaalpr (  ) throws Exception [inline, private]

Read vdW pair radius,stored into the parameter set

Exceptions:
ExceptionDescription of the Exception

Definition at line 335 of file MM2BasedParameterSetReader.java.

Referenced by readParameterSets().

                                                  {
            List data = new Vector();
            st.nextToken();
            String sid1 = st.nextToken();
            String sid2 = st.nextToken();
            String value1 = st.nextToken();
            String value2 = st.nextToken();
            try {
                  double va1 = new Double(value1).doubleValue();
                  double va2 = new Double(value2).doubleValue();
                  data.add(new Double(va1));
                  data.add(new Double(va2));

            } catch (NumberFormatException nfe) {
                  throw new IOException("VdWaalsTable.ReadvdWaalsPR:Malformed Number due to"+nfe.toString());
            }
            key = "vdwpr" + sid1 + ";" + sid2;
            parameterSet.put(key, data);
      }

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