Class PheSAAlignmentOptimizer.AlignmentResult
- java.lang.Object
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- com.actelion.research.chem.alignment3d.PheSAAlignmentOptimizer.AlignmentResult
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- All Implemented Interfaces:
java.lang.Comparable<PheSAAlignmentOptimizer.AlignmentResult>
- Enclosing class:
- PheSAAlignmentOptimizer
public static class PheSAAlignmentOptimizer.AlignmentResult extends java.lang.Object implements java.lang.Comparable<PheSAAlignmentOptimizer.AlignmentResult>
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Constructor Summary
Constructors Constructor Description AlignmentResult(double similarity, TransformationSequence transformation, int refConformerIndex, int conformerIndex)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description int
compareTo(PheSAAlignmentOptimizer.AlignmentResult o)
int
getConformerIndex()
int
getRefConformerIndex()
double
getSimilarity()
double[]
getSimilarityContributions()
TransformationSequence
getTransform()
void
setSimilarityContributions(double[] similarityContributions)
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Constructor Detail
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AlignmentResult
public AlignmentResult(double similarity, TransformationSequence transformation, int refConformerIndex, int conformerIndex)
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Method Detail
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getSimilarityContributions
public double[] getSimilarityContributions()
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setSimilarityContributions
public void setSimilarityContributions(double[] similarityContributions)
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getTransform
public TransformationSequence getTransform()
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getSimilarity
public double getSimilarity()
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getConformerIndex
public int getConformerIndex()
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getRefConformerIndex
public int getRefConformerIndex()
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compareTo
public int compareTo(PheSAAlignmentOptimizer.AlignmentResult o)
- Specified by:
compareTo
in interfacejava.lang.Comparable<PheSAAlignmentOptimizer.AlignmentResult>
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