RDKit
Open-source cheminformatics and machine learning.
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#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, RGroupGa > | RDKit::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) |