Package com.actelion.research.chem.phesa
Class PheSAAlignment.PheSAResult
- java.lang.Object
-
- com.actelion.research.chem.phesa.PheSAAlignment.PheSAResult
-
- All Implemented Interfaces:
java.lang.Comparable<PheSAAlignment.PheSAResult>
- Enclosing class:
- PheSAAlignment
public static class PheSAAlignment.PheSAResult extends java.lang.Object implements java.lang.Comparable<PheSAAlignment.PheSAResult>
-
-
Constructor Summary
Constructors Constructor Description PheSAResult(StereoMolecule refMol, StereoMolecule fitMol, double sim)
-
Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description int
compareTo(PheSAAlignment.PheSAResult o)
static PheSAAlignment.PheSAResult
decode(java.lang.String resultString)
java.lang.String
encode()
double[]
getContributions()
StereoMolecule
getFitMol()
StereoMolecule
getRefMol()
double
getSim()
void
setContributions(double[] contributions)
-
-
-
Constructor Detail
-
PheSAResult
public PheSAResult(StereoMolecule refMol, StereoMolecule fitMol, double sim)
-
-
Method Detail
-
getRefMol
public StereoMolecule getRefMol()
-
getFitMol
public StereoMolecule getFitMol()
-
getSim
public double getSim()
-
setContributions
public void setContributions(double[] contributions)
-
getContributions
public double[] getContributions()
-
encode
public java.lang.String encode()
-
decode
public static PheSAAlignment.PheSAResult decode(java.lang.String resultString)
-
compareTo
public int compareTo(PheSAAlignment.PheSAResult o)
- Specified by:
compareTo
in interfacejava.lang.Comparable<PheSAAlignment.PheSAResult>
-
-