Package org.openscience.cdk.signature
Class MoleculeFromSignatureBuilder
- java.lang.Object
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- signature.AbstractGraphBuilder
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- org.openscience.cdk.signature.MoleculeFromSignatureBuilder
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public class MoleculeFromSignatureBuilder extends signature.AbstractGraphBuilder
Builds a molecule from a signature.- Author:
- maclean
- Source code:
- main
- Belongs to CDK module:
- signature
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Constructor Summary
Constructors Constructor Description MoleculeFromSignatureBuilder(IChemObjectBuilder builder)
Uses the chem object builder for making molecules.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description IAtomContainer
getAtomContainer()
Gets the atom container.void
makeEdge(int vertexIndex1, int vertexIndex2, String vertexSymbol1, String vertexSymbol2, String edgeLabel)
void
makeGraph()
void
makeVertex(String label)
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Constructor Detail
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MoleculeFromSignatureBuilder
public MoleculeFromSignatureBuilder(IChemObjectBuilder builder)
Uses the chem object builder for making molecules.- Parameters:
builder
- a builder for CDK molecules.
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Method Detail
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makeEdge
public void makeEdge(int vertexIndex1, int vertexIndex2, String vertexSymbol1, String vertexSymbol2, String edgeLabel)
- Specified by:
makeEdge
in classsignature.AbstractGraphBuilder
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makeGraph
public void makeGraph()
- Specified by:
makeGraph
in classsignature.AbstractGraphBuilder
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makeVertex
public void makeVertex(String label)
- Specified by:
makeVertex
in classsignature.AbstractGraphBuilder
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getAtomContainer
public IAtomContainer getAtomContainer()
Gets the atom container.- Returns:
- the constructed atom container
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