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

java.lang.Object
  extended by uk.ac.cam.ch.wwmm.opsin.SMILESWriterTest

public class SMILESWriterTest
extends java.lang.Object


Constructor Summary
SMILESWriterTest()
           
 
Method Summary
 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 testOrganic1()
           
 void testOrganic10()
           
 void testOrganic2()
           
 void testOrganic3()
           
 void testOrganic4()
           
 void testOrganic5()
           
 void testOrganic6()
           
 void testOrganic7()
           
 void testOrganic8()
           
 void testOrganic9()
           
 void testRGroup()
           
 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

testRGroup

public void testRGroup()
                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