Class SMILESFragmentBuilderTest


  • public class SMILESFragmentBuilderTest
    extends java.lang.Object
    • Constructor Detail

      • SMILESFragmentBuilderTest

        public SMILESFragmentBuilderTest()
    • Method Detail

      • testBuild

        public void testBuild()
                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple1

        public void testSimple1()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple2

        public void testSimple2()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple3

        public void testSimple3()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple4

        public void testSimple4()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple5

        public void testSimple5()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple6

        public void testSimple6()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple7

        public void testSimple7()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple8

        public void testSimple8()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple9

        public void testSimple9()
                         throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple10

        public void testSimple10()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testSimple11

        public void testSimple11()
                          throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • unterminatedRingOpening

        public void unterminatedRingOpening()
                                     throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • doublePositiveCharge1

        public void doublePositiveCharge1()
                                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • doublePositiveCharge2

        public void doublePositiveCharge2()
                                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • doubleNegativeCharge1

        public void doubleNegativeCharge1()
                                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • doubleNegativeCharge2

        public void doubleNegativeCharge2()
                                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • noIsotopeSpecified

        public void noIsotopeSpecified()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • isotopeSpecified

        public void isotopeSpecified()
                              throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • badlyFormedSMILE1

        public void badlyFormedSMILE1()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • badlyFormedSMILE2

        public void badlyFormedSMILE2()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • badlyFormedSMILE3

        public void badlyFormedSMILE3()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • badlyFormedSMILE4

        public void badlyFormedSMILE4()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • badlyFormedSMILE5

        public void badlyFormedSMILE5()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • badlyFormedSMILE6

        public void badlyFormedSMILE6()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • badlyFormedSMILE7

        public void badlyFormedSMILE7()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • badlyFormedSMILE8

        public void badlyFormedSMILE8()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • ringClosureHandling1

        public void ringClosureHandling1()
                                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • ringClosureHandling2

        public void ringClosureHandling2()
                                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • ringClosureHandling3

        public void ringClosureHandling3()
                                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • ringClosureHandling4

        public void ringClosureHandling4()
                                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • ringSupportGreaterThan10

        public void ringSupportGreaterThan10()
                                      throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling1

        public void hydrogenHandling1()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling2

        public void hydrogenHandling2()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling3

        public void hydrogenHandling3()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling4

        public void hydrogenHandling4()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling5

        public void hydrogenHandling5()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling6

        public void hydrogenHandling6()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling7

        public void hydrogenHandling7()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling8

        public void hydrogenHandling8()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling9

        public void hydrogenHandling9()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling10

        public void hydrogenHandling10()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling11

        public void hydrogenHandling11()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling12

        public void hydrogenHandling12()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling13

        public void hydrogenHandling13()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling14

        public void hydrogenHandling14()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling15

        public void hydrogenHandling15()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling16

        public void hydrogenHandling16()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling17

        public void hydrogenHandling17()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling18

        public void hydrogenHandling18()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling19

        public void hydrogenHandling19()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling20

        public void hydrogenHandling20()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • hydrogenHandling21

        public void hydrogenHandling21()
                                throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • indicatedHydrogen

        public void indicatedHydrogen()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • chiralityTest1

        public void chiralityTest1()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • chiralityTest2

        public void chiralityTest2()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • chiralityTest3

        public void chiralityTest3()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • chiralityTest4

        public void chiralityTest4()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • chiralityTest5

        public void chiralityTest5()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • chiralityTest6

        public void chiralityTest6()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • chiralityTest7

        public void chiralityTest7()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • chiralityTest8

        public void chiralityTest8()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondStereo1

        public void testDoubleBondStereo1()
                                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondStereo2

        public void testDoubleBondStereo2()
                                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondStereo3

        public void testDoubleBondStereo3()
                                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondStereo4

        public void testDoubleBondStereo4()
                                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondStereo5a

        public void testDoubleBondStereo5a()
                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondStereo5b

        public void testDoubleBondStereo5b()
                                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondStereo6

        public void testDoubleBondStereo6()
                                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondMultiStereo1

        public void testDoubleBondMultiStereo1()
                                        throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondMultiStereo2

        public void testDoubleBondMultiStereo2()
                                        throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondMultiStereo3

        public void testDoubleBondMultiStereo3()
                                        throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondMultiStereo4

        public void testDoubleBondMultiStereo4()
                                        throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondNoela

        public void testDoubleBondNoela()
                                 throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondNoelb

        public void testDoubleBondNoelb()
                                 throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondNoelc

        public void testDoubleBondNoelc()
                                 throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondNoeld

        public void testDoubleBondNoeld()
                                 throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondNoele

        public void testDoubleBondNoele()
                                 throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondNoelf

        public void testDoubleBondNoelf()
                                 throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondNoelg

        public void testDoubleBondNoelg()
                                 throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondCornerCase1

        public void testDoubleBondCornerCase1()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondCornerCase2

        public void testDoubleBondCornerCase2()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondCornerCase3

        public void testDoubleBondCornerCase3()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondCornerCase4

        public void testDoubleBondCornerCase4()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondCornerCase5

        public void testDoubleBondCornerCase5()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
      • testDoubleBondCornerCase6

        public void testDoubleBondCornerCase6()
                                       throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
        Throws:
        uk.ac.cam.ch.wwmm.opsin.StructureBuildingException