RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
RGroupGa.h File Reference
#include <vector>
#include <memory>
#include <map>
#include <chrono>
#include "../../../External/GA/ga/StringChromosome.h"
#include "../../../External/GA/ga/GaBase.h"
#include "../../../External/GA/ga/GaOperation.h"
#include "../../../External/GA/ga/LinkedPopLinearSel.h"
#include "../../../External/GA/ga/IntegerStringChromosomePolicy.h"
#include "RGroupFingerprintScore.h"
#include "RGroupScore.h"

Go to the source code of this file.

Classes

class  RDKit::RGroupDecompositionChromosome
struct  RDKit::GaResult
class  RDKit::RGroupGa

Namespaces

namespace  RDKit
 Std stuff.

Typedefs

typedef LinkedPopLinearSel< RGroupDecompositionChromosome, RGroupGaRDKit::RGroupGaPopulation

Enumerations

enum  RDKit::OperationName { RDKit::RgroupMutate = 0x01 , RDKit::Crossover = 0x02 , RDKit::Create = 0x04 }

Functions

void RDKit::copyVarianceData (const FingerprintVarianceScoreData &fromData, FingerprintVarianceScoreData &toData)
void RDKit::clearVarianceData (FingerprintVarianceScoreData &fingerprintVarianceScoreData)