Package com.actelion.research.chem.io
Class NativeMDLReactionReader
- java.lang.Object
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- com.actelion.research.chem.io.NativeMDLReactionReader
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public class NativeMDLReactionReader extends java.lang.Object
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Constructor Summary
Constructors Constructor Description NativeMDLReactionReader(java.lang.String directory)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description java.lang.String
getCatalystData()
java.util.ArrayList<ExtendedMolecule>
getCatalysts()
java.lang.String[]
getFieldData(int reaction, int variation)
java.lang.String[]
getFieldNames()
int
getPointerErrors()
java.lang.String
getProductData()
java.lang.String
getReactantData()
Reaction
getReaction(int reaction, int variation)
int
getReactionCount()
java.lang.String
getSolventData()
java.util.ArrayList<ExtendedMolecule>
getSolvents()
int
getVariationCount(int regNo)
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Method Detail
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getReactionCount
public int getReactionCount()
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getPointerErrors
public int getPointerErrors()
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getVariationCount
public int getVariationCount(int regNo) throws java.io.IOException
- Throws:
java.io.IOException
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getReaction
public Reaction getReaction(int reaction, int variation) throws java.io.IOException
- Throws:
java.io.IOException
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getCatalysts
public java.util.ArrayList<ExtendedMolecule> getCatalysts()
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getSolvents
public java.util.ArrayList<ExtendedMolecule> getSolvents()
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getReactantData
public java.lang.String getReactantData()
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getProductData
public java.lang.String getProductData()
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getSolventData
public java.lang.String getSolventData()
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getCatalystData
public java.lang.String getCatalystData()
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getFieldNames
public java.lang.String[] getFieldNames()
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getFieldData
public java.lang.String[] getFieldData(int reaction, int variation)
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