RDKit
Open-source cheminformatics and machine learning.
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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) |
std::vector< std::unique_ptr< ExplicitBitVect > > RDKit::MolProcessing::getFingerprintsForMolsInFile | ( | const std::string & | fileName, |
const GeneralMolSupplier::SupplierOptions & | options = details::defaultSupplierOptions , |
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FingerprintGenerator< OutputType > * | generator = nullptr |
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