RDKit: RDDataManip Namespace Reference

| RDKit Open-source cheminformatics and machine learning.

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Classes | Functions
RDDataManip Namespace Reference

## Classes
class | MetricMatrixCalc
| A generic metric matrix calculator (e.g similarity matrix or distance matrix) More...

## Functions
template<typename T1, typename T2>
double | EuclideanDistanceMetric (const T1 &v1, const T2 &v2, unsigned int dim)
| return the Euclidean distance between two vectors
template<typename T1, typename T2>
double | 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 | TanimotoSimilarityMetric (const T1 &bv1, const T2 &bv2, unsigned int dim)
| return the Tanimoto similarity between two bit vectors

## Function Documentation

## ◆ EuclideanDistanceMetric()

template<typename T1, typename T2>

double RDDataManip::EuclideanDistanceMetric | ( | const T1 & | v1,
|  | const T2 & | v2,
|  | unsigned int | dim )

return the Euclidean distance between two vectors

Definition at line 20 of file MetricFuncs.h.

## ◆ TanimotoDistanceMetric()

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

Definition at line 34 of file MetricFuncs.h.

References RDUNUSED_PARAM, SimilarityWrapper(), and TanimotoSimilarity().

## ◆ TanimotoSimilarityMetric()

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

Definition at line 46 of file MetricFuncs.h.

References RDUNUSED_PARAM, SimilarityWrapper(), and TanimotoSimilarity().