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#include <RDGeneral/export.h>
#include <GraphMol/Atom.h>
#include <GraphMol/GraphMol.h>
#include <GraphMol/Fingerprints/MorganFingerprints.h>
#include <DataStructs/BitVects.h>
#include <vector>
RDKit::SparseIntVect<std::uint32_t> *getFeatureFingerprint(
const RDKit::ROMol &mol, unsigned int radius, bool useChirality = false,
bool useBondTypes = true, bool useCounts = true) {
std::vector<std::uint32_t> *invars =
new std::vector<std::uint32_t>(mol.getNumAtoms());
RDKit::MorganFingerprints::getFeatureInvariants(mol, *invars);
RDKit::SparseIntVect<std::uint32_t> *res =
RDKit::MorganFingerprints::getFingerprint(
mol, static_cast<unsigned int>(radius), invars, nullptr, useChirality,
useBondTypes, useCounts, false, nullptr);
delete invars;
return res;
}
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