RDKit
Open-source cheminformatics and machine learning.
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RDKit::MHFPFingerprints::MHFPEncoder Member List

This is the complete list of members for RDKit::MHFPFingerprints::MHFPEncoder, including all inherited members.

CreateShingling(const ROMol &mol, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1)RDKit::MHFPFingerprints::MHFPEncoder
CreateShingling(const std::string &smiles, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1)RDKit::MHFPFingerprints::MHFPEncoder
Distance(const std::vector< uint32_t > &a, const std::vector< uint32_t > &b)RDKit::MHFPFingerprints::MHFPEncoderinlinestatic
Encode(ROMol &mol, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1)RDKit::MHFPFingerprints::MHFPEncoder
Encode(std::vector< ROMol > &mols, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1)RDKit::MHFPFingerprints::MHFPEncoder
Encode(std::string &smiles, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1)RDKit::MHFPFingerprints::MHFPEncoder
Encode(std::vector< std::string > &smiles, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1)RDKit::MHFPFingerprints::MHFPEncoder
EncodeSECFP(ROMol &mol, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1, size_t length=2048)RDKit::MHFPFingerprints::MHFPEncoder
EncodeSECFP(std::vector< ROMol > &mols, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1, size_t length=2048)RDKit::MHFPFingerprints::MHFPEncoder
EncodeSECFP(std::string &smiles, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1, size_t length=2048)RDKit::MHFPFingerprints::MHFPEncoder
EncodeSECFP(std::vector< std::string > &smiles, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1, size_t length=2048)RDKit::MHFPFingerprints::MHFPEncoder
FromArray(const std::vector< uint32_t > &vec)RDKit::MHFPFingerprints::MHFPEncoder
FromStringArray(const std::vector< std::string > &vec)RDKit::MHFPFingerprints::MHFPEncoder
MHFPEncoder(unsigned int n_permutations=2048, unsigned int seed=42)RDKit::MHFPFingerprints::MHFPEncoder