test_class.file: descriptor/qsaratomic/src/test/java/org/openscience/cdk/qsar/descriptors/atomic/PeriodicTablePositionDescriptorTest.java
test_class.identifier: PeriodicTablePositionDescriptorTest
test_class.superclass: extends AtomicDescriptorTest
test_case.body: @Test
      public void testPeriodicTablePositionDescriptor() throws ClassNotFoundException, CDKException, java.lang.Exception {
          IAtomicDescriptor descriptor = new PeriodicTablePositionDescriptor();
          SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
          IAtomContainer mol = sp.parseSmiles("CCCl"); //
          Assert.assertEquals(3, ((IntegerResult) descriptor.calculate(mol.getAtom(2), mol).getValue()).intValue());
      }
test_case.class_method_signature: PeriodicTablePositionDescriptorTest.testPeriodicTablePositionDescriptor()
test_case.full_signature: @Test public void testPeriodicTablePositionDescriptor()
test_case.identifier: testPeriodicTablePositionDescriptor
test_case.invocations: getInstance parseSmiles assertEquals intValue getValue calculate getAtom
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testPeriodicTablePositionDescriptor()
focal_class.declarator: NAMES = {"periodicTablePosition"}
focal_class.modifier: private static final
focal_class.original_string: private static final String[] NAMES = {"periodicTablePosition"};
focal_class.type: String[]
focal_class.var_name: NAMES
focal_class.declarator: periodicTable
focal_class.modifier: public
focal_class.original_string: public Map<String, Integer>   periodicTable;
focal_class.type: Map<String, Integer>
focal_class.var_name: periodicTable
focal_class.file: descriptor/qsaratomic/src/main/java/org/openscience/cdk/qsar/descriptors/atomic/PeriodicTablePositionDescriptor.java
focal_class.identifier: PeriodicTablePositionDescriptor
focal_class.interfaces: implements IAtomicDescriptor
focal_class.class_method_signature: PeriodicTablePositionDescriptor.PeriodicTablePositionDescriptor()
focal_class.full_signature: public  PeriodicTablePositionDescriptor()
focal_class.identifier: PeriodicTablePositionDescriptor
focal_class.modifiers: public
focal_class.parameters: ()
focal_class.signature:  PeriodicTablePositionDescriptor()
focal_class.class_method_signature: PeriodicTablePositionDescriptor.getSpecification()
focal_class.full_signature: @Override public DescriptorSpecification getSpecification()
focal_class.identifier: getSpecification
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: DescriptorSpecification
focal_class.signature: DescriptorSpecification getSpecification()
focal_class.class_method_signature: PeriodicTablePositionDescriptor.setParameters(Object[] params)
focal_class.full_signature: @Override public void setParameters(Object[] params)
focal_class.identifier: setParameters
focal_class.modifiers: @Override public
focal_class.parameters: (Object[] params)
focal_class.return: void
focal_class.signature: void setParameters(Object[] params)
focal_class.class_method_signature: PeriodicTablePositionDescriptor.getParameters()
focal_class.full_signature: @Override public Object[] getParameters()
focal_class.identifier: getParameters
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: Object[]
focal_class.signature: Object[] getParameters()
focal_class.class_method_signature: PeriodicTablePositionDescriptor.getDescriptorNames()
focal_class.full_signature: @Override public String[] getDescriptorNames()
focal_class.identifier: getDescriptorNames
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: String[]
focal_class.signature: String[] getDescriptorNames()
focal_class.class_method_signature: PeriodicTablePositionDescriptor.calculate(IAtom atom, IAtomContainer container)
focal_class.full_signature: @Override public DescriptorValue calculate(IAtom atom, IAtomContainer container)
focal_class.identifier: calculate
focal_class.modifiers: @Override public
focal_class.parameters: (IAtom atom, IAtomContainer container)
focal_class.return: DescriptorValue
focal_class.signature: DescriptorValue calculate(IAtom atom, IAtomContainer container)
focal_class.class_method_signature: PeriodicTablePositionDescriptor.getParameterNames()
focal_class.full_signature: @Override public String[] getParameterNames()
focal_class.identifier: getParameterNames
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: String[]
focal_class.signature: String[] getParameterNames()
focal_class.class_method_signature: PeriodicTablePositionDescriptor.getParameterType(String name)
focal_class.full_signature: @Override public Object getParameterType(String name)
focal_class.identifier: getParameterType
focal_class.modifiers: @Override public
focal_class.parameters: (String name)
focal_class.return: Object
focal_class.signature: Object getParameterType(String name)
focal_class.superclass: extends AbstractAtomicDescriptor
focal_method.body: public PeriodicTablePositionDescriptor() {
          if (periodicTable == null) {
              periodicTable = new Hashtable<String, Integer>();
              periodicTable.put("H", 1);
              periodicTable.put("Li", 2);
              periodicTable.put("Be", 2);
              periodicTable.put("B", 2);
              periodicTable.put("C", 2);
              periodicTable.put("N", 2);
              periodicTable.put("O", 2);
              periodicTable.put("F", 2);
              periodicTable.put("Na", 3);
              periodicTable.put("Mg", 3);
              periodicTable.put("Al", 3);
              periodicTable.put("Si", 3);
              periodicTable.put("P", 3);
              periodicTable.put("S", 3);
              periodicTable.put("Cl", 3);
              periodicTable.put("K", 4);
              periodicTable.put("Ca", 4);
              periodicTable.put("Ga", 4);
              periodicTable.put("Ge", 4);
              periodicTable.put("As", 4);
              periodicTable.put("Se", 4);
              periodicTable.put("Br", 4);
              periodicTable.put("Rb", 5);
              periodicTable.put("Sr", 5);
              periodicTable.put("In", 5);
              periodicTable.put("Sn", 5);
              periodicTable.put("Sb", 5);
              periodicTable.put("Te", 5);
              periodicTable.put("I", 5);
              periodicTable.put("Cs", 6);
              periodicTable.put("Ba", 6);
              periodicTable.put("Tl", 6);
              periodicTable.put("Pb", 6);
              periodicTable.put("Bi", 6);
              periodicTable.put("Po", 6);
              periodicTable.put("At", 6);
              periodicTable.put("Fr", 7);
              periodicTable.put("Ra", 7);
          }
      }
focal_method.class_method_signature: PeriodicTablePositionDescriptor.PeriodicTablePositionDescriptor()
focal_method.full_signature: public  PeriodicTablePositionDescriptor()
focal_method.identifier: PeriodicTablePositionDescriptor
focal_method.modifiers: public
focal_method.parameters: ()
focal_method.signature:  PeriodicTablePositionDescriptor()