Molassembler  3.0.0
Molecule graph and conformer library
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RankingMapping.h
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1 
8 #ifndef INCLUDE_MOLASSEMBLER_RANKING_MAPPING_H
9 #define INCLUDE_MOLASSEMBLER_RANKING_MAPPING_H
10 
12 #include <unordered_map>
13 #include "boost/optional/optional.hpp"
14 
15 namespace Scine {
16 namespace Molassembler {
17 
18 struct SiteMapping {
19  using Map = std::unordered_map<SiteIndex, SiteIndex, SiteIndex::Hash>;
20 
21  Map map;
22  boost::optional<SiteIndex> changedSite;
23 
24  static SiteMapping from(const RankingInformation& a, const RankingInformation& b);
25 };
26 
27 } // namespace Molassembler
28 } // namespace Scine
29 
30 #endif
Ranking data of substituents around a central vertex.
Definition: RankingInformation.h:23
Definition: RankingMapping.h:18
Data struct storing results of ranking and local graph algorithms.