@TestClass(value="org.openscience.cdk.tools.manipulator.ChemFileManipulatorTest") public class ChemFileManipulator extends Object
Constructor and Description |
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ChemFileManipulator() |
Modifier and Type | Method and Description |
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static List<IAtomContainer> |
getAllAtomContainers(IChemFile file)
Returns all the AtomContainer's of a ChemFile.
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static List<IChemModel> |
getAllChemModels(IChemFile file)
Get a list of all ChemModels inside an IChemFile.
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static List<IChemObject> |
getAllChemObjects(IChemFile file)
Returns a List of all IChemObject inside a ChemFile.
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static List<String> |
getAllIDs(IChemFile file) |
static List<IReaction> |
getAllReactions(IChemFile file)
Get a list of all IReaction inside an IChemFile.
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static int |
getAtomCount(IChemFile file)
Get the total number of atoms inside an IChemFile.
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static int |
getBondCount(IChemFile file)
Get the total number of bonds inside an IChemFile.
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@TestMethod(value="testGetAtomCount_IChemFile") public static int getAtomCount(IChemFile file)
file
- The IChemFile object.@TestMethod(value="testGetBondCount_IChemFile") public static int getBondCount(IChemFile file)
file
- The IChemFile object.@TestMethod(value="testGetAllChemObjects_IChemFile") public static List<IChemObject> getAllChemObjects(IChemFile file)
@TestMethod(value="testGetAllIDs_IChemFile") public static List<String> getAllIDs(IChemFile file)
@TestMethod(value="testGetAllAtomContainers_IChemFile") public static List<IAtomContainer> getAllAtomContainers(IChemFile file)
@TestMethod(value="testGetAllChemModels_IChemFile") public static List<IChemModel> getAllChemModels(IChemFile file)
file
- The IChemFile object.@TestMethod(value="testGetAllReactions_IChemFile") public static List<IReaction> getAllReactions(IChemFile file)
file
- The IChemFile object.