uk.ac.cam.ch.wwmm.opsin

Class SMILESWriterTest

java.lang.Object

uk.ac.cam.ch.wwmm.opsin.SMILESWriterTest

public class SMILESWriterTest
extends java.lang.Object

Constructor Summary

Constructors

Constructor and Description
SMILESWriterTest()

Method Summary

Modifier and Type	Method and Description
void	setup()
void	testCharged1()
void	testCharged2()
void	testCharged3()
void	testCharged4()
void	testDoubleBondSupport1()
void	testDoubleBondSupport2()
void	testDoubleBondSupport3()
void	testDoubleBondSupport4()
void	testDoubleBondSupport5()
void	testDoubleBondSupport6()
void	testDoubleBondSupport7()
void	testDoubleBondSupport8()
void	testHydrogenNotBondedToAnyNonHydrogen1()
void	testHydrogenNotBondedToAnyNonHydrogen2()
void	testHydrogenNotBondedToAnyNonHydrogen3()
void	testHydrogenNotBondedToAnyNonHydrogen4()
void	testIsotope()
void	testLabelling1()
void	testLabelling2()
void	testOrganic1()
void	testOrganic10()
void	testOrganic2()
void	testOrganic3()
void	testOrganic4()
void	testOrganic5()
void	testOrganic6()
void	testOrganic7()
void	testOrganic8()
void	testOrganic9()
void	testRGroup1()
void	testRGroup2()
void	testRingOpeningsGreaterThan10()
void	testRoundTrip1()
void	testRoundTrip10()
void	testRoundTrip11()
void	testRoundTrip12()
void	testRoundTrip2()
void	testRoundTrip3()
void	testRoundTrip4()
void	testRoundTrip5()
void	testRoundTrip6()
void	testRoundTrip7()
void	testRoundTrip8()
void	testRoundTrip9()
void	testTetrahedralChirality1()
void	testTetrahedralChirality2()
void	testTetrahedralChirality3()
void	testTetrahedralChirality4()
void	testTetrahedralChirality5()
void	testTetrahedralChirality6()
void	testTetrahedralChirality7()

Methods inherited from class java.lang.Object

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

Constructor Detail

SMILESWriterTest

public SMILESWriterTest()

Method Detail

setup

public void setup()

testRoundTrip1

public void testRoundTrip1()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip2

public void testRoundTrip2()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip3

public void testRoundTrip3()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip4

public void testRoundTrip4()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip5

public void testRoundTrip5()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip6

public void testRoundTrip6()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip7

public void testRoundTrip7()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip8

public void testRoundTrip8()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip9

public void testRoundTrip9()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip10

public void testRoundTrip10()
                     throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip11

public void testRoundTrip11()
                     throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRoundTrip12

public void testRoundTrip12()
                     throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testOrganic1

public void testOrganic1()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testOrganic2

public void testOrganic2()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testOrganic3

public void testOrganic3()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testOrganic4

public void testOrganic4()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testOrganic5

public void testOrganic5()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testOrganic6

public void testOrganic6()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testOrganic7

public void testOrganic7()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testOrganic8

public void testOrganic8()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testOrganic9

public void testOrganic9()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testOrganic10

public void testOrganic10()
                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testCharged1

public void testCharged1()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testCharged2

public void testCharged2()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testCharged3

public void testCharged3()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testCharged4

public void testCharged4()
                  throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testIsotope

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

Throws:

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

testRGroup1

public void testRGroup1()
                 throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRGroup2

public void testRGroup2()
                 throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testRingOpeningsGreaterThan10

public void testRingOpeningsGreaterThan10()
                                   throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testHydrogenNotBondedToAnyNonHydrogen1

public void testHydrogenNotBondedToAnyNonHydrogen1()
                                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testHydrogenNotBondedToAnyNonHydrogen2

public void testHydrogenNotBondedToAnyNonHydrogen2()
                                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testHydrogenNotBondedToAnyNonHydrogen3

public void testHydrogenNotBondedToAnyNonHydrogen3()
                                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testHydrogenNotBondedToAnyNonHydrogen4

public void testHydrogenNotBondedToAnyNonHydrogen4()
                                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testTetrahedralChirality1

public void testTetrahedralChirality1()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testTetrahedralChirality2

public void testTetrahedralChirality2()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testTetrahedralChirality3

public void testTetrahedralChirality3()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testTetrahedralChirality4

public void testTetrahedralChirality4()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testTetrahedralChirality5

public void testTetrahedralChirality5()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testTetrahedralChirality6

public void testTetrahedralChirality6()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testTetrahedralChirality7

public void testTetrahedralChirality7()
                               throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testDoubleBondSupport1

public void testDoubleBondSupport1()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testDoubleBondSupport2

public void testDoubleBondSupport2()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testDoubleBondSupport3

public void testDoubleBondSupport3()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testDoubleBondSupport4

public void testDoubleBondSupport4()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testDoubleBondSupport5

public void testDoubleBondSupport5()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testDoubleBondSupport6

public void testDoubleBondSupport6()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testDoubleBondSupport7

public void testDoubleBondSupport7()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testDoubleBondSupport8

public void testDoubleBondSupport8()
                            throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testLabelling1

public void testLabelling1()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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

testLabelling2

public void testLabelling2()
                    throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException

Throws:

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