RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
RDKit::MolProcessing Namespace Reference

Namespaces

namespace  details
 

Functions

template<typename OutputType = std::uint32_t>
std::vector< std::unique_ptr< ExplicitBitVect > > getFingerprintsForMolsInFile (const std::string &fileName, const GeneralMolSupplier::SupplierOptions &options=details::defaultSupplierOptions, FingerprintGenerator< OutputType > *generator=nullptr)
 

Function Documentation

◆ getFingerprintsForMolsInFile()

template<typename OutputType = std::uint32_t>
std::vector< std::unique_ptr< ExplicitBitVect > > RDKit::MolProcessing::getFingerprintsForMolsInFile ( const std::string &  fileName,
const GeneralMolSupplier::SupplierOptions options = details::defaultSupplierOptions,
FingerprintGenerator< OutputType > *  generator = nullptr 
)