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Chemical Data Processing Library C++ API - Version 1.3.0
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Chemical Data Processing Library C++ API - Version 1.3.0
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Provides functions for the calculation of various similarity and distance measures. More...
#include <cstddef>#include <cmath>#include "CDPL/Descr/APIPrefix.hpp"#include "CDPL/Util/BitSet.hpp"#include "CDPL/Math/VectorExpression.hpp"Go to the source code of this file.
Namespaces | |
| CDPL | |
| The namespace of the Chemical Data Processing Library. | |
| CDPL::Descr | |
| Contains classes and functions related to the generation and processing of pharmacophore and molecule descriptors. | |
Functions | |
| CDPL_DESCR_API double | CDPL::Descr::calcTanimotoSimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2) |
| Calculates the Tanimoto Similarity [CITB] of the bitsets bs1 and bs2. More... | |
| template<typename V > | |
| double | CDPL::Descr::calcTanimotoSimilarity (const V &v1, const V &v2) |
| Calculates the Tanimoto Similarity [CITB] of the vectors v1 and v2. More... | |
| CDPL_DESCR_API double | CDPL::Descr::calcCosineSimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2) |
| Calculates the Cosine Similarity [WCOS] of the bitsets bs1 and bs2. More... | |
| template<typename V > | |
| double | CDPL::Descr::calcCosineSimilarity (const V &v1, const V &v2) |
| Calculates the Cosine Similarity [WCOS] of the vectors v1 and v2. More... | |
| CDPL_DESCR_API double | CDPL::Descr::calcEuclideanSimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2) |
| Calculates the Euclidean Similarity [GSIM] of the bitsets bs1 and bs2. More... | |
| CDPL_DESCR_API double | CDPL::Descr::calcManhattanSimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2) |
| Calculates the Manhattan Similarity [GSIM] of the bitsets bs1 and bs2. More... | |
| CDPL_DESCR_API double | CDPL::Descr::calcDiceSimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2) |
| Calculates the Dice Similarity [GSIM] of the bitsets bs1 and bs2. More... | |
| CDPL_DESCR_API double | CDPL::Descr::calcTverskySimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2, double a, double b) |
| Calculates the Tversky Similarity [GSIM] of the bitsets bs1 and bs2. More... | |
| CDPL_DESCR_API std::size_t | CDPL::Descr::calcHammingDistance (const Util::BitSet &bs1, const Util::BitSet &bs2) |
| Calculates the Hamming Distance [WHAM, CITB] between the bitsets bs1 and bs2. More... | |
| template<typename V > | |
| double | CDPL::Descr::calcManhattanDistance (const V &v1, const V &v2) |
| Calculates the Manhattan Distance [MADI] between the vectors v1 and v2. More... | |
| CDPL_DESCR_API double | CDPL::Descr::calcEuclideanDistance (const Util::BitSet &bs1, const Util::BitSet &bs2) |
| Calculates the Euclidean Distance [CITB] between the bitsets bs1 and bs2. More... | |
| template<typename V > | |
| double | CDPL::Descr::calcEuclideanDistance (const V &v1, const V &v2) |
| Calculates the Euclidean Distance [CITB] between the vectors v1 and v2. More... | |
Provides functions for the calculation of various similarity and distance measures.
1.9.1