Class SMILESWriterTest


  • public class SMILESWriterTest
    extends java.lang.Object
    • Constructor Detail

      • SMILESWriterTest

        public SMILESWriterTest()
    • Method Detail

      • setup

        public void setup()
      • testRoundTrip1

        public void testRoundTrip1()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip2

        public void testRoundTrip2()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip3

        public void testRoundTrip3()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip4

        public void testRoundTrip4()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip5

        public void testRoundTrip5()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip6

        public void testRoundTrip6()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip7

        public void testRoundTrip7()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip8

        public void testRoundTrip8()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip9

        public void testRoundTrip9()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip10

        public void testRoundTrip10()
                             throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip11

        public void testRoundTrip11()
                             throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRoundTrip12

        public void testRoundTrip12()
                             throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testOrganic1

        public void testOrganic1()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testOrganic2

        public void testOrganic2()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testOrganic3

        public void testOrganic3()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testOrganic4

        public void testOrganic4()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testOrganic5

        public void testOrganic5()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testOrganic6

        public void testOrganic6()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testOrganic7

        public void testOrganic7()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testOrganic8

        public void testOrganic8()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testOrganic9

        public void testOrganic9()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testOrganic10

        public void testOrganic10()
                           throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCharged1

        public void testCharged1()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCharged2

        public void testCharged2()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCharged3

        public void testCharged3()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCharged4

        public void testCharged4()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testIsotope

        public void testIsotope()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRGroup1

        public void testRGroup1()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRGroup2

        public void testRGroup2()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testRingOpeningsGreaterThan10

        public void testRingOpeningsGreaterThan10()
                                           throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testHydrogenNotBondedToAnyNonHydrogen1

        public void testHydrogenNotBondedToAnyNonHydrogen1()
                                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testHydrogenNotBondedToAnyNonHydrogen2

        public void testHydrogenNotBondedToAnyNonHydrogen2()
                                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testHydrogenNotBondedToAnyNonHydrogen3

        public void testHydrogenNotBondedToAnyNonHydrogen3()
                                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testHydrogenNotBondedToAnyNonHydrogen4

        public void testHydrogenNotBondedToAnyNonHydrogen4()
                                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testTetrahedralChirality1

        public void testTetrahedralChirality1()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testTetrahedralChirality2

        public void testTetrahedralChirality2()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testTetrahedralChirality3

        public void testTetrahedralChirality3()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testTetrahedralChirality4

        public void testTetrahedralChirality4()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testTetrahedralChirality5

        public void testTetrahedralChirality5()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testTetrahedralChirality6

        public void testTetrahedralChirality6()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testTetrahedralChirality7

        public void testTetrahedralChirality7()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondSupport1

        public void testDoubleBondSupport1()
                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondSupport2

        public void testDoubleBondSupport2()
                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondSupport3

        public void testDoubleBondSupport3()
                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondSupport4

        public void testDoubleBondSupport4()
                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondSupport5

        public void testDoubleBondSupport5()
                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondSupport6

        public void testDoubleBondSupport6()
                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondSupport7

        public void testDoubleBondSupport7()
                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondSupport8

        public void testDoubleBondSupport8()
                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testLabelling1

        public void testLabelling1()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testLabelling2

        public void testLabelling2()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException