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Change size_t into std::uint64_t in SearchResults (#8392)

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This commit is contained in:
Paolo Tosco
2025-03-29 18:22:31 +01:00
committed by GitHub
parent 32608ae0b4
commit a3cb75b769
3 changed files with 6 additions and 6 deletions
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2
Code/GraphMol/SynthonSpaceSearch/SearchResults.cpp
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@@ -12,7 +12,7 @@
namespace RDKit::SynthonSpaceSearch {
SearchResults::SearchResults(std::vector<std::unique_ptr<ROMol>> &&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);

6
Code/GraphMol/SynthonSpaceSearch/SearchResults.h
View File

@@ -22,7 +22,7 @@ namespace RDKit::SynthonSpaceSearch {
class RDKIT_SYNTHONSPACESEARCH_EXPORT SearchResults {
public:
explicit SearchResults() : d_maxNumResults(0) {}
SearchResults(std::vector<std::unique_ptr<ROMol>> &&mols, size_t maxNumRes,
SearchResults(std::vector<std::unique_ptr<ROMol>> &&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<std::string> d_molNames;
size_t d_maxNumResults;
std::uint64_t d_maxNumResults;
bool d_timedOut{false};
bool d_cancelled{false};
};

4
Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp
View File

@@ -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;