public class StereochemistryTest
extends java.lang.Object
Constructor and Description |
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StereochemistryTest() |
public static void setup()
public static void cleanUp()
public void findStereoCentresBromoChloroFluoroMethane()
public void findStereoCentresNacetylleucine()
public void findStereoCentresBut2ene()
public void applyStereochemistryLocantedZ() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void applyStereochemistryLocantedE() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void applyStereochemistryUnlocantedZ() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void applyStereochemistryUnlocantedE() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void applyStereochemistryCis() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void applyStereochemistryTrans() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void applyStereochemistryLocantedRS() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority9() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority11() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority12() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority13() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCIPpriority14() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testAtomParityEquivalence1()
public void testAtomParityEquivalence2()
public void testCisTransUnambiguous() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCisTransAmbiguous() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testChiralAtomWhichBecomesAchiral() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testChiralBondWhichBecomesAchiral() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testIsTetrahedral() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testAchiralDueToResonance() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testAchiralDueToTautomerism() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testFindPseudoAsymmetricCarbon1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testFindPseudoAsymmetricCarbon2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException