11#ifndef RDKIT_SYNTHONSPACE_SEARCHRESULTS_H
12#define RDKIT_SYNTHONSPACE_SEARCHRESULTS_H
25 SearchResults(std::vector<std::unique_ptr<ROMol>> &&mols, std::uint64_t maxNumRes,
26 bool timedOut,
bool cancelled);
50 return d_hitMolecules;
69 std::vector<std::unique_ptr<ROMol>> d_hitMolecules;
72 std::unordered_set<std::string> d_molNames;
74 std::uint64_t d_maxNumResults;
75 bool d_timedOut{
false};
76 bool d_cancelled{
false};
Defines the primary molecule class ROMol as well as associated typedefs.
const std::vector< std::unique_ptr< ROMol > > & getHitMolecules() const
std::uint64_t getMaxNumResults() const
SearchResults & operator=(SearchResults &&other)=default
SearchResults(const SearchResults &other)
SearchResults & operator=(const SearchResults &other)
void mergeResults(SearchResults &other)
bool getCancelled() const
SearchResults(std::vector< std::unique_ptr< ROMol > > &&mols, std::uint64_t maxNumRes, bool timedOut, bool cancelled)
SearchResults(SearchResults &&other)=default
#define RDKIT_SYNTHONSPACESEARCH_EXPORT