rdkit-sys 0.4.12

RDKit CFFI library builder and bindings
Documentation
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#pragma once

#include "rust/cxx.h"
#include <GraphMol/Descriptors/Property.h>

namespace RDKit {
using Descriptors::Properties;

std::shared_ptr<Properties> new_properties();
std::unique_ptr<std::vector<std::string>> get_property_names(const std::shared_ptr<Properties> &props);
std::unique_ptr<std::vector<double>> compute_properties(const std::shared_ptr<Properties> &props,
                                                        const std::shared_ptr<ROMol> &mol);
} // namespace RDKit