diff --git a/Code/GraphMol/SynthonSpaceSearch/SearchResults.cpp b/Code/GraphMol/SynthonSpaceSearch/SearchResults.cpp index dc983fc86..a8f923622 100644 --- a/Code/GraphMol/SynthonSpaceSearch/SearchResults.cpp +++ b/Code/GraphMol/SynthonSpaceSearch/SearchResults.cpp @@ -12,7 +12,7 @@ namespace RDKit::SynthonSpaceSearch { SearchResults::SearchResults(std::vector> &&mols, - const size_t maxNumRes, bool timedOut, + const std::uint64_t maxNumRes, bool timedOut, bool cancelled) : d_maxNumResults(maxNumRes), d_timedOut(timedOut), d_cancelled(cancelled) { d_hitMolecules = std::move(mols); diff --git a/Code/GraphMol/SynthonSpaceSearch/SearchResults.h b/Code/GraphMol/SynthonSpaceSearch/SearchResults.h index 03842f842..75c921c2e 100644 --- a/Code/GraphMol/SynthonSpaceSearch/SearchResults.h +++ b/Code/GraphMol/SynthonSpaceSearch/SearchResults.h @@ -22,7 +22,7 @@ namespace RDKit::SynthonSpaceSearch { class RDKIT_SYNTHONSPACESEARCH_EXPORT SearchResults { public: explicit SearchResults() : d_maxNumResults(0) {} - SearchResults(std::vector> &&mols, size_t maxNumRes, + SearchResults(std::vector> &&mols, std::uint64_t maxNumRes, bool timedOut, bool cancelled); SearchResults(const SearchResults &other); SearchResults(SearchResults &&other) = default; @@ -39,7 +39,7 @@ class RDKIT_SYNTHONSPACESEARCH_EXPORT SearchResults { * * @return int */ - size_t getMaxNumResults() const { return d_maxNumResults; } + std::uint64_t getMaxNumResults() const { return d_maxNumResults; } /*! * Returns the hit molecules from the search. Not necessarily all * those possible, just the maximum number requested. @@ -71,7 +71,7 @@ class RDKIT_SYNTHONSPACESEARCH_EXPORT SearchResults { // filled in then if needed, empty otherwise. std::unordered_set d_molNames; - size_t d_maxNumResults; + std::uint64_t d_maxNumResults; bool d_timedOut{false}; bool d_cancelled{false}; }; diff --git a/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp b/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp index 19ddd0d9f..7bf819ea8 100644 --- a/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp +++ b/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp @@ -61,12 +61,12 @@ SearchResults SynthonSpaceSearcher::search() { d_query, getSpace().getMaxNumSynthons(), d_params.maxNumFragSets, endTime, d_params.numThreads, timedOut); if (timedOut || ControlCHandler::getGotSignal()) { - return SearchResults{std::move(results), 0UL, timedOut, + return SearchResults{std::move(results), 0ULL, timedOut, ControlCHandler::getGotSignal()}; } extraSearchSetup(fragments); if (ControlCHandler::getGotSignal()) { - return SearchResults{std::move(results), 0UL, timedOut, true}; + return SearchResults{std::move(results), 0ULL, timedOut, true}; } std::uint64_t totHits = 0;