Class DockingEngine.DockingResult
- java.lang.Object
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- com.actelion.research.chem.docking.DockingEngine.DockingResult
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- All Implemented Interfaces:
java.lang.Comparable<DockingEngine.DockingResult>
- Enclosing class:
- DockingEngine
public static class DockingEngine.DockingResult extends java.lang.Object implements java.lang.Comparable<DockingEngine.DockingResult>
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Constructor Summary
Constructors Constructor Description DockingResult(StereoMolecule pose, double score, java.util.Map<java.lang.String,java.lang.Double> contributions)
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description int
compareTo(DockingEngine.DockingResult o)
static DockingEngine.DockingResult
decode(java.lang.String resultString)
java.lang.String
encode()
java.util.Map<java.lang.String,java.lang.Double>
getContributions()
StereoMolecule
getPose()
double
getScore()
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Constructor Detail
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DockingResult
public DockingResult(StereoMolecule pose, double score, java.util.Map<java.lang.String,java.lang.Double> contributions)
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Method Detail
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getScore
public double getScore()
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getPose
public StereoMolecule getPose()
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getContributions
public java.util.Map<java.lang.String,java.lang.Double> getContributions()
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encode
public java.lang.String encode()
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decode
public static DockingEngine.DockingResult decode(java.lang.String resultString)
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compareTo
public int compareTo(DockingEngine.DockingResult o)
- Specified by:
compareTo
in interfacejava.lang.Comparable<DockingEngine.DockingResult>
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