Class ChemFileManipulator
- java.lang.Object
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- org.openscience.cdk.tools.manipulator.ChemFileManipulator
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public class ChemFileManipulator extends Object
Class with convenience methods that provide methods from methods from ChemObjects within the ChemFile.- See Also:
AtomContainer.removeAtomAndConnectedElectronContainers(IAtom)
- Source code:
- main
- Belongs to CDK module:
- standard
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Constructor Summary
Constructors Constructor Description ChemFileManipulator()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static List<IAtomContainer>
getAllAtomContainers(IChemFile file)
Returns all the AtomContainer's of a ChemFile.static List<IChemModel>
getAllChemModels(IChemFile file)
Get a list of all ChemModels inside an IChemFile.static List<IChemObject>
getAllChemObjects(IChemFile file)
Returns a List of all IChemObject inside a ChemFile.static List<String>
getAllIDs(IChemFile file)
static List<IReaction>
getAllReactions(IChemFile file)
Get a list of all IReaction inside an IChemFile.static int
getAtomCount(IChemFile file)
Get the total number of atoms inside an IChemFile.static int
getBondCount(IChemFile file)
Get the total number of bonds inside an IChemFile.
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Method Detail
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getAtomCount
public static int getAtomCount(IChemFile file)
Get the total number of atoms inside an IChemFile.- Parameters:
file
- The IChemFile object.- Returns:
- The number of Atom object inside.
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getBondCount
public static int getBondCount(IChemFile file)
Get the total number of bonds inside an IChemFile.- Parameters:
file
- The IChemFile object.- Returns:
- The number of Bond object inside.
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getAllChemObjects
public static List<IChemObject> getAllChemObjects(IChemFile file)
Returns a List of all IChemObject inside a ChemFile.- Returns:
- A list of all ChemObjects
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getAllAtomContainers
public static List<IAtomContainer> getAllAtomContainers(IChemFile file)
Returns all the AtomContainer's of a ChemFile.
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getAllChemModels
public static List<IChemModel> getAllChemModels(IChemFile file)
Get a list of all ChemModels inside an IChemFile.- Parameters:
file
- The IChemFile object.- Returns:
- The List of IChemModel objects inside.
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