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
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
StereochemistryTest
public StereochemistryTest()
setup
public static void setup()
throws NameToStructureException
- Throws:
NameToStructureException
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