public class SMILESFragmentBuilderTest
extends java.lang.Object
Constructor and Description |
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SMILESFragmentBuilderTest() |
public void setUp()
public void testBuild() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple9() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSimple11() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void unterminatedRingOpening() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void doublePositiveCharge1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void doublePositiveCharge2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void doubleNegativeCharge1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void doubleNegativeCharge2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void noIsotopeSpecified() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void isotopeSpecified() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void badlyFormedSMILE1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void badlyFormedSMILE2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void badlyFormedSMILE3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void badlyFormedSMILE4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void badlyFormedSMILE5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void badlyFormedSMILE6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void badlyFormedSMILE7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void badlyFormedSMILE8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void ringClosureHandling1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void ringClosureHandling2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void ringClosureHandling3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void ringClosureHandling4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void ringSupportGreaterThan10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling9() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling11() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling12() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling13() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling14() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling15() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling16() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling17() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling18() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling19() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling20() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void hydrogenHandling21() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void indicatedHydrogen1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void indicatedHydrogen2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void chiralityTest1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void chiralityTest2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void chiralityTest3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void chiralityTest4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void chiralityTest5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void chiralityTest6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void chiralityTest7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void chiralityTest8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondStereo1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondStereo2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondStereo3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondStereo4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondStereo5a() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondStereo5b() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondStereo6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondMultiStereo1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondMultiStereo2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondMultiStereo3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondMultiStereo4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondNoela() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondNoelb() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondNoelc() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondNoeld() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondNoele() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondNoelf() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondNoelg() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondNoelLike1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondNoelLike2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException