RDKit
Open-source cheminformatics and machine learning.
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RDKit::RGroupDecompositionChromosome Class Reference

#include <RGroupGa.h>

Inheritance diagram for RDKit::RGroupDecompositionChromosome:

Public Member Functions

 RGroupDecompositionChromosome (RGroupGa &rGroupGa)
 
double getFitness () const
 
OperationName getOperationName () const
 
void setOperationName (OperationName operationName)
 
std::string info () const
 
double score ()
 
double recalculateScore ()
 
bool isOk ()
 
void decode ()
 
void copyGene (const StringChromosomeBase &other) override
 
FingerprintVarianceScoreDatagetFingerprintVarianceScoreData ()
 
const vector< size_t > & getPermutation () const
 
const RGroupGagetRGroupGA () const
 

Detailed Description

Definition at line 45 of file RGroupGa.h.

Constructor & Destructor Documentation

◆ RGroupDecompositionChromosome()

RDKit::RGroupDecompositionChromosome::RGroupDecompositionChromosome ( RGroupGa & rGroupGa)

Member Function Documentation

◆ copyGene()

void RDKit::RGroupDecompositionChromosome::copyGene ( const StringChromosomeBase & other)
override

◆ decode()

void RDKit::RGroupDecompositionChromosome::decode ( )

◆ getFingerprintVarianceScoreData()

FingerprintVarianceScoreData & RDKit::RGroupDecompositionChromosome::getFingerprintVarianceScoreData ( )
inline

Definition at line 69 of file RGroupGa.h.

◆ getFitness()

double RDKit::RGroupDecompositionChromosome::getFitness ( ) const
inline

Definition at line 49 of file RGroupGa.h.

◆ getOperationName()

OperationName RDKit::RGroupDecompositionChromosome::getOperationName ( ) const
inline

Definition at line 51 of file RGroupGa.h.

◆ getPermutation()

const vector< size_t > & RDKit::RGroupDecompositionChromosome::getPermutation ( ) const
inline

Definition at line 73 of file RGroupGa.h.

◆ getRGroupGA()

const RGroupGa & RDKit::RGroupDecompositionChromosome::getRGroupGA ( ) const
inline

Definition at line 75 of file RGroupGa.h.

◆ info()

std::string RDKit::RGroupDecompositionChromosome::info ( ) const

◆ isOk()

bool RDKit::RGroupDecompositionChromosome::isOk ( )
inline

Definition at line 63 of file RGroupGa.h.

◆ recalculateScore()

double RDKit::RGroupDecompositionChromosome::recalculateScore ( )

◆ score()

double RDKit::RGroupDecompositionChromosome::score ( )

◆ setOperationName()

void RDKit::RGroupDecompositionChromosome::setOperationName ( OperationName operationName)
inline

Definition at line 53 of file RGroupGa.h.


The documentation for this class was generated from the following file: