Package biotransformer.transformation
Class Biotransformation
- java.lang.Object
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- biotransformer.transformation.Biotransformation
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public class Biotransformation extends java.lang.Object
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Constructor Summary
Constructors Constructor Description Biotransformation(org.openscience.cdk.interfaces.IAtomContainerSet substrates, MRPatterns.ReactionName reactionType, Enzyme.EnzymeName enzymeName, org.openscience.cdk.interfaces.IAtomContainerSet products)
Biotransformation(org.openscience.cdk.interfaces.IAtomContainerSet substrates, MRPatterns.ReactionName reactionType, java.util.ArrayList<Enzyme.EnzymeName> enzymeNames, org.openscience.cdk.interfaces.IAtomContainerSet products, BioSystem.BioSystemName bsysName)
Biotransformation(org.openscience.cdk.interfaces.IAtomContainerSet substrates, MRPatterns.ReactionName reactionType, java.util.ArrayList<Enzyme.EnzymeName> enzymeNames, org.openscience.cdk.interfaces.IAtomContainerSet products, java.lang.Double score, BioSystem.BioSystemName bsysName)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
display()
boolean
equals(Biotransformation biotransformation)
BioSystem.BioSystemName
getBioSystemName()
java.util.ArrayList<Enzyme.EnzymeName>
getEnzymeNames()
org.openscience.cdk.AtomContainerSet
getProducts()
MRPatterns.ReactionName
getReactionType()
java.lang.Double
getScore()
org.openscience.cdk.AtomContainerSet
getSubstrates()
void
setEnzymeNames(java.util.ArrayList<Enzyme.EnzymeName> elsit)
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Constructor Detail
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Biotransformation
public Biotransformation(org.openscience.cdk.interfaces.IAtomContainerSet substrates, MRPatterns.ReactionName reactionType, java.util.ArrayList<Enzyme.EnzymeName> enzymeNames, org.openscience.cdk.interfaces.IAtomContainerSet products, BioSystem.BioSystemName bsysName)
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Biotransformation
public Biotransformation(org.openscience.cdk.interfaces.IAtomContainerSet substrates, MRPatterns.ReactionName reactionType, java.util.ArrayList<Enzyme.EnzymeName> enzymeNames, org.openscience.cdk.interfaces.IAtomContainerSet products, java.lang.Double score, BioSystem.BioSystemName bsysName)
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Biotransformation
public Biotransformation(org.openscience.cdk.interfaces.IAtomContainerSet substrates, MRPatterns.ReactionName reactionType, Enzyme.EnzymeName enzymeName, org.openscience.cdk.interfaces.IAtomContainerSet products)
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Method Detail
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getSubstrates
public org.openscience.cdk.AtomContainerSet getSubstrates()
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getProducts
public org.openscience.cdk.AtomContainerSet getProducts()
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getReactionType
public MRPatterns.ReactionName getReactionType()
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getEnzymeNames
public java.util.ArrayList<Enzyme.EnzymeName> getEnzymeNames()
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getBioSystemName
public BioSystem.BioSystemName getBioSystemName()
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getScore
public java.lang.Double getScore()
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setEnzymeNames
public void setEnzymeNames(java.util.ArrayList<Enzyme.EnzymeName> elsit)
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display
public void display()
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equals
public boolean equals(Biotransformation biotransformation)
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