Package uk.ac.cam.ch.wwmm.opsin
Class SMILESFragmentBuilderTest
- java.lang.Object
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- uk.ac.cam.ch.wwmm.opsin.SMILESFragmentBuilderTest
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public class SMILESFragmentBuilderTest extends java.lang.Object
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Constructor Summary
Constructors Constructor Description SMILESFragmentBuilderTest()
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Method Summary
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Method Detail
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testBuild
public void testBuild() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple1
public void testSimple1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple2
public void testSimple2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple3
public void testSimple3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple4
public void testSimple4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple5
public void testSimple5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple6
public void testSimple6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple7
public void testSimple7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple8
public void testSimple8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple9
public void testSimple9() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple10
public void testSimple10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testSimple11
public void testSimple11() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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unterminatedRingOpening
public void unterminatedRingOpening() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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doublePositiveCharge1
public void doublePositiveCharge1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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doublePositiveCharge2
public void doublePositiveCharge2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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doubleNegativeCharge1
public void doubleNegativeCharge1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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doubleNegativeCharge2
public void doubleNegativeCharge2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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noIsotopeSpecified
public void noIsotopeSpecified() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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isotopeSpecified
public void isotopeSpecified() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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badlyFormedSMILE1
public void badlyFormedSMILE1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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badlyFormedSMILE2
public void badlyFormedSMILE2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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badlyFormedSMILE3
public void badlyFormedSMILE3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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badlyFormedSMILE4
public void badlyFormedSMILE4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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badlyFormedSMILE5
public void badlyFormedSMILE5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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badlyFormedSMILE6
public void badlyFormedSMILE6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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badlyFormedSMILE7
public void badlyFormedSMILE7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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badlyFormedSMILE8
public void badlyFormedSMILE8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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ringClosureHandling1
public void ringClosureHandling1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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ringClosureHandling2
public void ringClosureHandling2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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ringClosureHandling3
public void ringClosureHandling3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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ringClosureHandling4
public void ringClosureHandling4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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ringSupportGreaterThan10
public void ringSupportGreaterThan10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling1
public void hydrogenHandling1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling2
public void hydrogenHandling2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling3
public void hydrogenHandling3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling4
public void hydrogenHandling4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling5
public void hydrogenHandling5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling6
public void hydrogenHandling6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling7
public void hydrogenHandling7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling8
public void hydrogenHandling8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling9
public void hydrogenHandling9() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling10
public void hydrogenHandling10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling11
public void hydrogenHandling11() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling12
public void hydrogenHandling12() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling13
public void hydrogenHandling13() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling14
public void hydrogenHandling14() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling15
public void hydrogenHandling15() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling16
public void hydrogenHandling16() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling17
public void hydrogenHandling17() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling18
public void hydrogenHandling18() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling19
public void hydrogenHandling19() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling20
public void hydrogenHandling20() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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hydrogenHandling21
public void hydrogenHandling21() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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indicatedHydrogen
public void indicatedHydrogen() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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chiralityTest1
public void chiralityTest1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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chiralityTest2
public void chiralityTest2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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chiralityTest3
public void chiralityTest3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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chiralityTest4
public void chiralityTest4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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chiralityTest5
public void chiralityTest5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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chiralityTest6
public void chiralityTest6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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chiralityTest7
public void chiralityTest7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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chiralityTest8
public void chiralityTest8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondStereo1
public void testDoubleBondStereo1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondStereo2
public void testDoubleBondStereo2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondStereo3
public void testDoubleBondStereo3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondStereo4
public void testDoubleBondStereo4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondStereo5a
public void testDoubleBondStereo5a() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondStereo5b
public void testDoubleBondStereo5b() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondStereo6
public void testDoubleBondStereo6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondMultiStereo1
public void testDoubleBondMultiStereo1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondMultiStereo2
public void testDoubleBondMultiStereo2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondMultiStereo3
public void testDoubleBondMultiStereo3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondMultiStereo4
public void testDoubleBondMultiStereo4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondNoela
public void testDoubleBondNoela() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondNoelb
public void testDoubleBondNoelb() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondNoelc
public void testDoubleBondNoelc() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondNoeld
public void testDoubleBondNoeld() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondNoele
public void testDoubleBondNoele() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondNoelf
public void testDoubleBondNoelf() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondNoelg
public void testDoubleBondNoelg() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondCornerCase1
public void testDoubleBondCornerCase1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondCornerCase2
public void testDoubleBondCornerCase2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondCornerCase3
public void testDoubleBondCornerCase3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondCornerCase4
public void testDoubleBondCornerCase4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondCornerCase5
public void testDoubleBondCornerCase5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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testDoubleBondCornerCase6
public void testDoubleBondCornerCase6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
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