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

Sets the charge attribute stored into the parameter set

Exceptions:
ExceptionDescription of the Exception

Definition at line 677 of file MM2BasedParameterSetReader.java.

Referenced by readParameterSets().

                                                {
            List data = new Vector();
            st.nextToken();
            String sid1 = st.nextToken();
            String value1 = st.nextToken();

            try {
                  double va1 = new Double(value1).doubleValue();
                  data.add(new Double(va1));
            } catch (NumberFormatException nfe) {
                  throw new IOException("setCharge: Malformed Number due to "+nfe.toString());
            }
            key = "charge" + sid1;
            parameterSet.put(key, data);
      }

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