Package com.actelion.research.chem.alignment3d

Class PheSAAlignmentOptimizer.AlignmentResult

java.lang.Object

com.actelion.research.chem.alignment3d.PheSAAlignmentOptimizer.AlignmentResult

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>

Constructor Summary

Constructors

Constructor	Description
AlignmentResult(double similarity, TransformationSequence transformation, int refConformerIndex, int conformerIndex)

Method Summary

Modifier and Type	Method	Description
int	compareTo(PheSAAlignmentOptimizer.AlignmentResult o)
int	getConformerIndex()
int	getRefConformerIndex()
double	getSimilarity()
double[]	getSimilarityContributions()
TransformationSequence	getTransform()
void	setSimilarityContributions(double[] similarityContributions)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

AlignmentResult

public AlignmentResult(double similarity,
                       TransformationSequence transformation,
                       int refConformerIndex,
                       int conformerIndex)

Method Detail

getSimilarityContributions

public double[] getSimilarityContributions()

setSimilarityContributions

public void setSimilarityContributions(double[] similarityContributions)

getTransform

public TransformationSequence getTransform()

getSimilarity

public double getSimilarity()

getConformerIndex

public int getConformerIndex()

getRefConformerIndex

public int getRefConformerIndex()

compareTo

public int compareTo(PheSAAlignmentOptimizer.AlignmentResult o)

Specified by:

compareTo in interface java.lang.Comparable<PheSAAlignmentOptimizer.AlignmentResult>