Class ChemFileManipulator
java.lang.Object
org.openscience.cdk.tools.manipulator.ChemFileManipulator
Class with convenience methods that provide methods from
methods from ChemObjects within the ChemFile.
- See Also:
- Source code:
- main
- Belongs to CDK module:
- standard
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionstatic List<IAtomContainer>
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.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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Constructor Details
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ChemFileManipulator
public ChemFileManipulator()
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Method Details
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getAtomCount
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
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
Returns a List of all IChemObject inside a ChemFile.- Returns:
- A list of all ChemObjects
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getAllIDs
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getAllAtomContainers
Returns all the AtomContainer's of a ChemFile. -
getAllChemModels
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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getAllReactions
Get a list of all IReaction inside an IChemFile.- Parameters:
file
- The IChemFile object.- Returns:
- The List of IReaction objects inside.
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