uk.ac.cam.ch.wwmm.opsin
public class FragmentTest extends java.lang.Object
Constructor and Description |
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FragmentTest() |
Modifier and Type | Method and Description |
---|---|
void |
setUp() |
void |
testAddAtom() |
void |
testAddBond() |
void |
testConvertSpareValenciesToDoubleBonds() |
void |
testFindBond() |
void |
testFragment() |
void |
testGetAtomByID() |
void |
testGetAtomByLocant() |
void |
testGetAtomNeighbours() |
void |
testGetChainLength() |
void |
testGetIDFromLocant() |
void |
testImportFrag() |
void |
testIndicatedHydrogen() |
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 |
testRelabelSuffixLocants() |
void |
testSpareValenciesOnAromaticAtoms() |
public void setUp()
public void testFragment()
public void testAddAtom()
public void testAddBond()
public void testImportFrag() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testGetIDFromLocant() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testGetAtomByLocant() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testGetAtomByID() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testFindBond() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testGetChainLength() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRelabelSuffixLocants() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelCarbamimidamido() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelHydrazonoHydrazide() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelCarbonimidoyl() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelHydrazonicAmide() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelHydrazonate() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelHexanDiamide() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelDiimidooxalicDiamide() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelHydrazinecarbohydrazide() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelCarbonicDihydrazide() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelSulfonoThioate() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelAcetoanilide() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelPyridine() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelPiperazine() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testLabelCarboximidohydrazide() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testIndicatedHydrogen() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testSpareValenciesOnAromaticAtoms() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testConvertSpareValenciesToDoubleBonds() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testGetAtomNeighbours() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException