Package org.openscience.cdk.io.inchi
Class INChIContentProcessorTool
- java.lang.Object
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- org.openscience.cdk.io.inchi.INChIContentProcessorTool
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@Deprecated public class INChIContentProcessorTool extends Object
Deprecated.Tool to help process INChI 1.12beta content.- Source code:
- main
- Belongs to CDK module:
- extra
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Constructor Summary
Constructors Constructor Description INChIContentProcessorTool()
Deprecated.
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Method Summary
All Methods Instance Methods Concrete Methods Deprecated Methods Modifier and Type Method Description void
processConnections(String bondsEncoding, IAtomContainer container, int source)
Deprecated.Processes the content from the connections field of the INChI.IAtomContainer
processFormula(IAtomContainer parsedContent, String atomsEncoding)
Deprecated.Processes the content from the formula field of the INChI.
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Method Detail
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processFormula
public IAtomContainer processFormula(IAtomContainer parsedContent, String atomsEncoding)
Deprecated.Processes the content from the formula field of the INChI. Typical values look like C6H6, from INChI=1.12Beta/C6H6/c1-2-4-6-5-3-1/h1-6H.
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processConnections
public void processConnections(String bondsEncoding, IAtomContainer container, int source)
Deprecated.Processes the content from the connections field of the INChI. Typical values look like 1-2-4-6-5-3-1, from INChI=1.12Beta/C6H6/c1-2-4-6-5-3-1/h1-6H.- Parameters:
bondsEncoding
- the content of the INChI connections fieldcontainer
- the atomContainer parsed from the formula fieldsource
- the atom to build the path upon. If -1, then start new path- See Also:
processFormula(org.openscience.cdk.interfaces.IAtomContainer, java.lang.String)
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