test_class.file: storage/inchi/src/test/java/org/openscience/cdk/graph/invariant/InChINumbersToolsTest.java
test_class.identifier: InChINumbersToolsTest
test_class.superclass: extends CDKTestCase
test_case.body: @Test
      public void testSimpleNumbering() throws CDKException {
          IAtomContainer container = new AtomContainer();
          container.addAtom(new Atom("O"));
          container.addAtom(new Atom("C"));
          container.addBond(0, 1, IBond.Order.SINGLE);
          long[] numbers = InChINumbersTools.getNumbers(container);
          Assert.assertEquals(2, numbers.length);
          Assert.assertEquals(2, numbers[0]);
          Assert.assertEquals(1, numbers[1]);
      }
test_case.class_method_signature: InChINumbersToolsTest.testSimpleNumbering()
test_case.full_signature: @Test public void testSimpleNumbering()
test_case.identifier: testSimpleNumbering
test_case.invocations: addAtom addAtom addBond getNumbers assertEquals assertEquals assertEquals
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testSimpleNumbering()
focal_class.file: storage/inchi/src/main/java/org/openscience/cdk/graph/invariant/InChINumbersTools.java
focal_class.identifier: InChINumbersTools
focal_class.class_method_signature: InChINumbersTools.getNumbers(IAtomContainer atomContainer)
focal_class.full_signature: public static long[] getNumbers(IAtomContainer atomContainer)
focal_class.identifier: getNumbers
focal_class.modifiers: public static
focal_class.parameters: (IAtomContainer atomContainer)
focal_class.return: long[]
focal_class.signature: long[] getNumbers(IAtomContainer atomContainer)
focal_class.class_method_signature: InChINumbersTools.parseAuxInfo(String aux, long[] numbers)
focal_class.full_signature: public static void parseAuxInfo(String aux, long[] numbers)
focal_class.identifier: parseAuxInfo
focal_class.modifiers: public static
focal_class.parameters: (String aux, long[] numbers)
focal_class.return: void
focal_class.signature: void parseAuxInfo(String aux, long[] numbers)
focal_class.class_method_signature: InChINumbersTools.getUSmilesNumbers(IAtomContainer container)
focal_class.full_signature: public static long[] getUSmilesNumbers(IAtomContainer container)
focal_class.identifier: getUSmilesNumbers
focal_class.modifiers: public static
focal_class.parameters: (IAtomContainer container)
focal_class.return: long[]
focal_class.signature: long[] getUSmilesNumbers(IAtomContainer container)
focal_class.class_method_signature: InChINumbersTools.parseUSmilesNumbers(String aux, IAtomContainer container)
focal_class.full_signature: static long[] parseUSmilesNumbers(String aux, IAtomContainer container)
focal_class.identifier: parseUSmilesNumbers
focal_class.modifiers: static
focal_class.parameters: (String aux, IAtomContainer container)
focal_class.return: long[]
focal_class.signature: long[] parseUSmilesNumbers(String aux, IAtomContainer container)
focal_class.class_method_signature: InChINumbersTools.exch(long[] values, int i, int j)
focal_class.full_signature: private static void exch(long[] values, int i, int j)
focal_class.identifier: exch
focal_class.modifiers: private static
focal_class.parameters: (long[] values, int i, int j)
focal_class.return: void
focal_class.signature: void exch(long[] values, int i, int j)
focal_class.class_method_signature: InChINumbersTools.findPiBondedOxygen(IAtomContainer container, IAtom atom)
focal_class.full_signature: private static IAtom findPiBondedOxygen(IAtomContainer container, IAtom atom)
focal_class.identifier: findPiBondedOxygen
focal_class.modifiers: private static
focal_class.parameters: (IAtomContainer container, IAtom atom)
focal_class.return: IAtom
focal_class.signature: IAtom findPiBondedOxygen(IAtomContainer container, IAtom atom)
focal_class.class_method_signature: InChINumbersTools.auxInfo(IAtomContainer container, INCHI_OPTION... options)
focal_class.full_signature: static String auxInfo(IAtomContainer container, INCHI_OPTION... options)
focal_class.identifier: auxInfo
focal_class.modifiers: static
focal_class.parameters: (IAtomContainer container, INCHI_OPTION... options)
focal_class.return: String
focal_class.signature: String auxInfo(IAtomContainer container, INCHI_OPTION... options)
focal_method.body: public static long[] getNumbers(IAtomContainer atomContainer) throws CDKException {
          String aux = auxInfo(atomContainer);
          long[] numbers = new long[atomContainer.getAtomCount()];
          parseAuxInfo(aux, numbers);
          return numbers;
      }
focal_method.class_method_signature: InChINumbersTools.getNumbers(IAtomContainer atomContainer)
focal_method.full_signature: public static long[] getNumbers(IAtomContainer atomContainer)
focal_method.identifier: getNumbers
focal_method.invocations: auxInfo getAtomCount parseAuxInfo
focal_method.modifiers: public static
focal_method.parameters: (IAtomContainer atomContainer)
focal_method.return: long[]
focal_method.signature: long[] getNumbers(IAtomContainer atomContainer)