#include <RGroupFingerprintScore.h>
Definition at line 42 of file RGroupFingerprintScore.h.
◆ addVarianceData()
void RDKit::FingerprintVarianceScoreData::addVarianceData |
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int | matchNumber, |
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int | permutationNumber, |
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const std::vector< std::vector< RGroupMatch > > & | matches, |
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const std::set< int > & | labels ) |
◆ clear()
void RDKit::FingerprintVarianceScoreData::clear |
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◆ fingerprintVarianceGroupScore()
double RDKit::FingerprintVarianceScoreData::fingerprintVarianceGroupScore |
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◆ removeVarianceData()
void RDKit::FingerprintVarianceScoreData::removeVarianceData |
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int | matchNumber, |
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int | permutationNumber, |
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const std::vector< std::vector< RGroupMatch > > & | matches, |
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const std::set< int > & | labels ) |
◆ labelsToVarianceData
◆ numberOfMissingUserRGroups
size_t RDKit::FingerprintVarianceScoreData::numberOfMissingUserRGroups = 0 |
◆ numberOfMolecules
size_t RDKit::FingerprintVarianceScoreData::numberOfMolecules = 0 |
The documentation for this struct was generated from the following file: