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RDKit
Open-source cheminformatics and machine learning.
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Abstract base class that holds molecule independent arguments that are common amongst all fingerprint types and classes inherited from this would hold fingerprint type specific arguments. More...
#include <FingerprintGenerator.h>
Public Member Functions | |
FingerprintArguments (const bool countSimulation, const std::vector< std::uint32_t > countBounds, const std::uint32_t fpSize) | |
virtual OutputType | getResultSize () const =0 |
Returns the size of the fingerprint based on arguments. More... | |
virtual std::string | infoString () const =0 |
method that returns information string about the fingerprint specific argument set and the arguments themselves More... | |
std::string | commonArgumentsString () const |
method that returns information string about common fingerprinting arguments' values More... | |
virtual | ~FingerprintArguments () |
Public Attributes | |
const bool | d_countSimulation |
const std::vector< std::uint32_t > | d_countBounds |
const std::uint32_t | d_fpSize |
Abstract base class that holds molecule independent arguments that are common amongst all fingerprint types and classes inherited from this would hold fingerprint type specific arguments.
Definition at line 52 of file FingerprintGenerator.h.
RDKit::FingerprintArguments< OutputType >::FingerprintArguments | ( | const bool | countSimulation, |
const std::vector< std::uint32_t > | countBounds, | ||
const std::uint32_t | fpSize | ||
) |
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inlinevirtual |
Definition at line 85 of file FingerprintGenerator.h.
std::string RDKit::FingerprintArguments< OutputType >::commonArgumentsString | ( | ) | const |
method that returns information string about common fingerprinting arguments' values
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pure virtual |
Returns the size of the fingerprint based on arguments.
Implemented in RDKit::MorganFingerprint::MorganArguments< OutputType >, RDKit::AtomPair::AtomPairArguments< OutputType >, RDKit::RDKitFP::RDKitFPArguments< OutputType >, and RDKit::TopologicalTorsion::TopologicalTorsionArguments< OutputType >.
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pure virtual |
method that returns information string about the fingerprint specific argument set and the arguments themselves
Implemented in RDKit::MorganFingerprint::MorganArguments< OutputType >, RDKit::AtomPair::AtomPairArguments< OutputType >, RDKit::RDKitFP::RDKitFPArguments< OutputType >, and RDKit::TopologicalTorsion::TopologicalTorsionArguments< OutputType >.
const std::vector<std::uint32_t> RDKit::FingerprintArguments< OutputType >::d_countBounds |
Definition at line 59 of file FingerprintGenerator.h.
const bool RDKit::FingerprintArguments< OutputType >::d_countSimulation |
Definition at line 58 of file FingerprintGenerator.h.
const std::uint32_t RDKit::FingerprintArguments< OutputType >::d_fpSize |
Definition at line 60 of file FingerprintGenerator.h.