uk.ac.cam.ch.wwmm.opsin

Class SMILESFragmentBuilderTest

java.lang.Object

uk.ac.cam.ch.wwmm.opsin.SMILESFragmentBuilderTest

public class SMILESFragmentBuilderTest
extends java.lang.Object

Constructor Summary

Constructors

Constructor and Description
SMILESFragmentBuilderTest()

Method Summary

Methods

Modifier and Type	Method and Description
void	badlyFormedSMILE1()
void	badlyFormedSMILE2()
void	badlyFormedSMILE3()
void	badlyFormedSMILE4()
void	badlyFormedSMILE5()
void	badlyFormedSMILE6()
void	badlyFormedSMILE7()
void	badlyFormedSMILE8()
void	chiralityTest1()
void	chiralityTest2()
void	chiralityTest3()
void	chiralityTest4()
void	chiralityTest5()
void	chiralityTest6()
void	chiralityTest7()
void	chiralityTest8()
void	doubleNegativeCharge1()
void	doubleNegativeCharge2()
void	doublePositiveCharge1()
void	doublePositiveCharge2()
void	hydrogenHandling1()
void	hydrogenHandling10()
void	hydrogenHandling11()
void	hydrogenHandling12()
void	hydrogenHandling13()
void	hydrogenHandling14()
void	hydrogenHandling15()
void	hydrogenHandling16()
void	hydrogenHandling17()
void	hydrogenHandling18()
void	hydrogenHandling19()
void	hydrogenHandling2()
void	hydrogenHandling20()
void	hydrogenHandling21()
void	hydrogenHandling3()
void	hydrogenHandling4()
void	hydrogenHandling5()
void	hydrogenHandling6()
void	hydrogenHandling7()
void	hydrogenHandling8()
void	hydrogenHandling9()
void	indicatedHydrogen()
void	isotopeSpecified()
void	noIsotopeSpecified()
void	ringClosureHandling1()
void	ringClosureHandling2()
void	ringClosureHandling3()
void	ringClosureHandling4()
void	ringSupportGreaterThan10()
void	setUp()
void	testBuild()
void	testDoubleBondMultiStereo1()
void	testDoubleBondMultiStereo2()
void	testDoubleBondMultiStereo3()
void	testDoubleBondMultiStereo4()
void	testDoubleBondNoela()
void	testDoubleBondNoelb()
void	testDoubleBondNoelc()
void	testDoubleBondNoeld()
void	testDoubleBondNoele()
void	testDoubleBondNoelf()
void	testDoubleBondNoelg()
void	testDoubleBondNoelLike1()
void	testDoubleBondNoelLike2()
void	testDoubleBondStereo1()
void	testDoubleBondStereo2()
void	testDoubleBondStereo3()
void	testDoubleBondStereo4()
void	testDoubleBondStereo5a()
void	testDoubleBondStereo5b()
void	testDoubleBondStereo6()
void	testSimple1()
void	testSimple10()
void	testSimple11()
void	testSimple2()
void	testSimple3()
void	testSimple4()
void	testSimple5()
void	testSimple6()
void	testSimple7()
void	testSimple8()
void	testSimple9()
void	unterminatedRingOpening()

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

SMILESFragmentBuilderTest

public SMILESFragmentBuilderTest()

Method Detail

setUp

public void setUp()

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

testDoubleBondNoelLike1

public void testDoubleBondNoelLike1()
                             throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

testDoubleBondNoelLike2

public void testDoubleBondNoelLike2()
                             throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

uk.ac.cam.ch.wwmm.opsin.StructureBuildingException