Package uk.ac.cam.ch.wwmm.opsin
Class StereochemistryTest
- java.lang.Object
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- uk.ac.cam.ch.wwmm.opsin.StereochemistryTest
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public class StereochemistryTest extends java.lang.Object
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Constructor Summary
Constructors Constructor Description StereochemistryTest()
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Method Summary
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Method Detail
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setup
public void setup()
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intialSetup
public static void intialSetup()
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cleanUp
public static void cleanUp()
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findStereoCentresBromoChloroFluoroMethane
public void findStereoCentresBromoChloroFluoroMethane()
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findStereoCentresNacetylleucine
public void findStereoCentresNacetylleucine() throws uk.ac.cam.ch.wwmm.opsin.CipOrderingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.CipOrderingException
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findStereoCentresBut2ene
public void findStereoCentresBut2ene()
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applyStereochemistryLocantedZ
public void applyStereochemistryLocantedZ() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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applyStereochemistryLocantedE
public void applyStereochemistryLocantedE() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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applyStereochemistryUnlocantedZ
public void applyStereochemistryUnlocantedZ() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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applyStereochemistryUnlocantedE
public void applyStereochemistryUnlocantedE() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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applyStereochemistryCis
public void applyStereochemistryCis() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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applyStereochemistryTrans
public void applyStereochemistryTrans() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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applyStereochemistryLocantedRS
public void applyStereochemistryLocantedRS() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority1
public void testCIPpriority1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority2
public void testCIPpriority2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority3
public void testCIPpriority3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority4
public void testCIPpriority4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority5
public void testCIPpriority5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority6
public void testCIPpriority6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority7
public void testCIPpriority7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority8
public void testCIPpriority8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority9
public void testCIPpriority9() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority10
public void testCIPpriority10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority11
public void testCIPpriority11() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority12
public void testCIPpriority12() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority13
public void testCIPpriority13() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority14
public void testCIPpriority14() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCIPpriority15
public void testCIPpriority15() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCipUnassignable
public void testCipUnassignable() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testAtomParityEquivalence1
public void testAtomParityEquivalence1()
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testAtomParityEquivalence2
public void testAtomParityEquivalence2()
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testCisTransUnambiguous
public void testCisTransUnambiguous() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testCisTransAmbiguous
public void testCisTransAmbiguous() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testChiralAtomWhichBecomesAchiral
public void testChiralAtomWhichBecomesAchiral() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testChiralBondWhichBecomesAchiral
public void testChiralBondWhichBecomesAchiral() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testIsTetrahedral
public void testIsTetrahedral() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testAchiralDueToResonance
public void testAchiralDueToResonance() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testAchiralDueToTautomerism
public void testAchiralDueToTautomerism() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testFindPseudoAsymmetricCarbon1
public void testFindPseudoAsymmetricCarbon1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testFindPseudoAsymmetricCarbon2
public void testFindPseudoAsymmetricCarbon2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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