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

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

public class FragmentTest
extends java.lang.Object


Constructor Summary
FragmentTest()
           
 
Method Summary
 void setUp()
           
 void testAddAtom()
           
 void testAddBond()
           
 void testConvertHighOrderBondsToSpareValencies()
           
 void testConvertSpareValenciesToDoubleBonds()
           
 void testFindBond()
           
 void testFragment()
           
 void testGetAtomByID()
           
 void testGetAtomByLocant()
           
 void testGetAtomNeighbours()
           
 void testGetChainLength()
           
 void testGetIDFromLocant()
           
 void testImportFrag()
           
 void testLabelAcetoanilide()
           
 void testLabelCarbamimidamido()
           
 void testLabelCarbonicDihydrazide()
           
 void testLabelCarbonimidoyl()
           
 void testLabelCarboximidohydrazide()
           
 void testLabelDiimidooxalicDiamide()
           
 void testLabelHexanDiamide()
           
 void testLabelHydrazinecarbohydrazide()
           
 void testLabelHydrazonate()
           
 void testLabelHydrazonicAmide()
           
 void testLabelHydrazonoHydrazide()
           
 void testLabelPiperazine()
           
 void testLabelPyridine()
           
 void testLabelSulfonoThioate()
           
 void testPickUpIndicatedHydrogen()
           
 void testRelabelSuffixLocants()
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Constructor Detail

FragmentTest

public FragmentTest()
Method Detail

setUp

public void setUp()

testFragment

public void testFragment()

testAddAtom

public void testAddAtom()

testAddBond

public void testAddBond()

testImportFrag

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

testGetIDFromLocant

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

testGetAtomByLocant

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

testGetAtomByID

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

testFindBond

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

testGetChainLength

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

testRelabelSuffixLocants

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

testLabelCarbamimidamido

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

testLabelHydrazonoHydrazide

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

testLabelCarbonimidoyl

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

testLabelHydrazonicAmide

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

testLabelHydrazonate

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

testLabelHexanDiamide

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

testLabelDiimidooxalicDiamide

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

testLabelHydrazinecarbohydrazide

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

testLabelCarbonicDihydrazide

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

testLabelSulfonoThioate

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

testLabelAcetoanilide

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

testLabelPyridine

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

testLabelPiperazine

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

testLabelCarboximidohydrazide

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

testPickUpIndicatedHydrogen

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

testConvertHighOrderBondsToSpareValencies

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

testConvertSpareValenciesToDoubleBonds

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

testGetAtomNeighbours

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