uk.ac.cam.ch.wwmm.opsin
Class StereochemistryTest

java.lang.Object
  uk.ac.cam.ch.wwmm.opsin.StereochemistryTest

public class StereochemistryTest
extends java.lang.Object

Constructor Summary

StereochemistryTest()

Method Summary

void	applyStereochemistryCis()
void	applyStereochemistryLocantedE()
void	applyStereochemistryLocantedRS()
void	applyStereochemistryLocantedZ()
void	applyStereochemistryTrans()
void	applyStereochemistryUnlocantedE()
void	applyStereochemistryUnlocantedZ()
static void	cleanUp()
void	findStereoCentresBromoChloroFluoroMethane()
void	findStereoCentresBut2ene()
void	findStereoCentresNacetylleucine()
static void	setup()
void	testAchiralDueToResonance()
void	testAchiralDueToTautomerism()
void	testAtomParityEquivalence1()
void	testAtomParityEquivalence2()
void	testChiralAtomWhichBecomesAchiral()
void	testChiralBondWhichBecomesAchiral()
void	testCIPpriority1()
void	testCIPpriority10()
void	testCIPpriority11()
void	testCIPpriority12()
void	testCIPpriority13()
void	testCIPpriority14()
void	testCIPpriority2()
void	testCIPpriority3()
void	testCIPpriority4()
void	testCIPpriority5()
void	testCIPpriority6()
void	testCIPpriority7()
void	testCIPpriority8()
void	testCIPpriority9()
void	testCisTransAmbiguous()
void	testCisTransUnambiguous()
void	testFindPseudoAsymmetricCarbon1()
void	testFindPseudoAsymmetricCarbon2()
void	testIsTetrahedral()

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

StereochemistryTest

public StereochemistryTest()

Method Detail

setup

public static void setup()

cleanUp

public static void cleanUp()

findStereoCentresBromoChloroFluoroMethane

public void findStereoCentresBromoChloroFluoroMethane()

findStereoCentresNacetylleucine

public void findStereoCentresNacetylleucine()

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

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