8 #ifndef INCLUDE_MOLASSEMBLER_STEREOPERMUTATORS_SYMMETRY_POSITION_MAPS_H
9 #define INCLUDE_MOLASSEMBLER_STEREOPERMUTATORS_SYMMETRY_POSITION_MAPS_H
17 namespace Molassembler {
18 namespace Stereopermutations {
19 class Stereopermutation;
22 using SiteToShapeVertexMap = Temple::StrongIndexFlatMap<SiteIndex, Shapes::Vertex>;
38 const Stereopermutations::Stereopermutation& stereopermutation,
40 const std::vector<RankingInformation::Link>&
siteLinks
55 const Stereopermutations::Stereopermutation& stereopermutation,
57 const std::vector<RankingInformation::Link>&
siteLinks
60 Stereopermutations::Stereopermutation stereopermutationFromSiteToShapeVertexMap(
62 const std::vector<RankingInformation::Link>& links,
std::vector< RankingInformation::Link > siteLinks(const PrivateGraph &graph, const AtomStereopermutator &stereopermutatorA, const AtomStereopermutator &stereopermutatorB)
Find links between two adjacent stereopermutators, returns unordered links.
SiteToShapeVertexMap siteToShapeVertexMap(const Stereopermutations::Stereopermutation &stereopermutation, const RankingInformation::RankedSitesType &canonicalSites, const std::vector< RankingInformation::Link > &siteLinks)
Generates a flat mapping from site indices to shape vertices.
Centralizes basic shape data in runtime types.
Temple::StrongIndexFlatMap< Shapes::Vertex, SiteIndex > shapeVertexToSiteIndexMap(const Stereopermutations::Stereopermutation &stereopermutation, const RankingInformation::RankedSitesType &canonicalSites, const std::vector< RankingInformation::Link > &siteLinks)
Generates a flat mapping from shape vertices to site indices.
Class for flat maps between strong indices.