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

Sets the angle attribute stored into the parameter set

Exceptions:
ExceptionDescription of the Exception

Definition at line 438 of file MM2BasedParameterSetReader.java.

Referenced by readParameterSets().

                                               {
            List data = new Vector();
            st.nextToken();
            String sid1 = st.nextToken();
            String sid2 = st.nextToken();
            String sid3 = st.nextToken();
            String value1 = st.nextToken();
            String value2 = st.nextToken();
            String value3 = st.nextToken();
            String value4 = st.nextToken();

            try {
                  double va1 = new Double(value1).doubleValue();
                  double va2 = new Double(value2).doubleValue();
                  double va3 = new Double(value3).doubleValue();
                  double va4 = new Double(value4).doubleValue();
                  data.add(new Double(va1));
                  data.add(new Double(va2));
                  data.add(new Double(va3));
                  data.add(new Double(va4));

                  key = "angle" + sid1 + ";" + sid2 + ";" + sid3;
                  if (parameterSet.containsKey(key)) {
                        data = (Vector) parameterSet.get(key);
                        data.add(new Double(va1));
                        data.add(new Double(va2));
                        data.add(new Double(va3));
                        data.add(new Double(va4));
                  }
                  parameterSet.put(key, data);

            } catch (NumberFormatException nfe) {
                  throw new IOException("setAngle: Malformed Number");
            }

      }

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