Package org.openscience.cdk.io
Class RdfileRecord
- java.lang.Object
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- org.openscience.cdk.io.RdfileRecord
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public final class RdfileRecord extends Object
The RdfileRecord class represents a single record of an RD file.
- Author:
- Uli Fechner
- See Also:
RdfileReader
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description IAtomContainer
getAtomContainer()
Retrieves the AtomContainer from the RdfileRecord.String
getExternalRegistryNumber()
Retrieves the external registry number of the RdfileRecord.String
getInternalRegistryNumber()
Retrieves the internal registry number of the RdfileRecord.IReaction
getReaction()
Retrieves the reaction object from the RdfileRecord.boolean
isMolfile()
Checks if the RdfileRecord represents a molfile.boolean
isRxnFile()
Checks if the RdfileRecord represents a reaction file.
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Method Detail
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getInternalRegistryNumber
public String getInternalRegistryNumber()
Retrieves the internal registry number of the RdfileRecord.- Returns:
- The internal registry number of the RdfileRecord.
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getExternalRegistryNumber
public String getExternalRegistryNumber()
Retrieves the external registry number of the RdfileRecord.- Returns:
- The external registry number of the RdfileRecord.
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isRxnFile
public boolean isRxnFile()
Checks if the RdfileRecord represents a reaction file.- Returns:
- true if the RdfileRecord represents a reaction file, false otherwise
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isMolfile
public boolean isMolfile()
Checks if the RdfileRecord represents a molfile.- Returns:
- true if the RdfileRecord represents a molfile, false otherwise
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getAtomContainer
public IAtomContainer getAtomContainer()
Retrieves the AtomContainer from the RdfileRecord.- Returns:
- the AtomContainer object if the record represents a molecule,
null
otherwise
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getReaction
public IReaction getReaction()
Retrieves the reaction object from the RdfileRecord.- Returns:
- the reaction object if the RdfileRecord represents a reaction,
null
otherwise
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