RDKit
Open-source cheminformatics and machine learning.
|
#include <RDGeneral/export.h>
#include <cmath>
#include <DataStructs/BitOps.h>
#include <RDGeneral/Invariant.h>
Go to the source code of this file.
Namespaces | |
namespace | RDDataManip |
Functions | |
template<typename T1 , typename T2 > | |
double | RDDataManip::EuclideanDistanceMetric (const T1 &v1, const T2 &v2, unsigned int dim) |
return the Euclidean distance between two vectors | |
template<typename T1 , typename T2 > | |
double | RDDataManip::TanimotoDistanceMetric (const T1 &bv1, const T2 &bv2, unsigned int dim) |
return the Tanimoto distance (1-TanimotoSimilarity) between two bit vectors | |
template<typename T1 , typename T2 > | |
double | RDDataManip::TanimotoSimilarityMetric (const T1 &bv1, const T2 &bv2, unsigned int dim) |
return the Tanimoto similarity between two bit vectors | |