Class StereochemistryTest


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

      • StereochemistryTest

        public StereochemistryTest()
    • Method Detail

      • setup

        public void setup()
      • intialSetup

        public static void intialSetup()
      • cleanUp

        public static void cleanUp()
      • findStereoCentresBromoChloroFluoroMethane

        public void findStereoCentresBromoChloroFluoroMethane()
      • findStereoCentresNacetylleucine

        public void findStereoCentresNacetylleucine()
                                             throws uk.ac.cam.ch.wwmm.opsin.CipOrderingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.CipOrderingException
      • findStereoCentresBut2ene

        public void findStereoCentresBut2ene()
      • applyStereochemistryLocantedZ

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

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

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

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

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

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

        public void applyStereochemistryLocantedRS()
                                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority1

        public void testCIPpriority1()
                              throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority2

        public void testCIPpriority2()
                              throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority3

        public void testCIPpriority3()
                              throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority4

        public void testCIPpriority4()
                              throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority5

        public void testCIPpriority5()
                              throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority6

        public void testCIPpriority6()
                              throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority7

        public void testCIPpriority7()
                              throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority8

        public void testCIPpriority8()
                              throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority9

        public void testCIPpriority9()
                              throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority10

        public void testCIPpriority10()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority11

        public void testCIPpriority11()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority12

        public void testCIPpriority12()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority13

        public void testCIPpriority13()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority14

        public void testCIPpriority14()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCIPpriority15

        public void testCIPpriority15()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testCipUnassignable

        public void testCipUnassignable()
                                 throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testAtomParityEquivalence1

        public void testAtomParityEquivalence1()
      • testAtomParityEquivalence2

        public void testAtomParityEquivalence2()
      • testCisTransUnambiguous

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

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

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

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

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

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

        public void testAchiralDueToTautomerism()
                                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testFindPseudoAsymmetricCarbon1

        public void testFindPseudoAsymmetricCarbon1()
                                             throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testFindPseudoAsymmetricCarbon2

        public void testFindPseudoAsymmetricCarbon2()
                                             throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException