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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) |