RankingInformation.h

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#ifndef INCLUDE_MOLASSEMBLER_RANKING_INFORMATION_H
#define INCLUDE_MOLASSEMBLER_RANKING_INFORMATION_H

#include "Molassembler/Types.h"
#include "Molassembler/Temple/StrongIndex.h"

#include <vector>

namespace Scine {
namespace Molassembler {

struct site_index_tag;
using SiteIndex = Temple::StrongIndex<site_index_tag, unsigned>;

struct MASM_EXPORT RankingInformation {
  struct Link;

  template<typename T>
  using NestedList = std::vector<
    std::vector<T>
  >;

  using RankedSubstituentsType = NestedList<AtomIndex>;

  using SiteListType = NestedList<AtomIndex>;

  using RankedSitesType = NestedList<SiteIndex>;


  static std::vector<unsigned> siteConstitutingAtomsRankedPositions(
    const std::vector<AtomIndex>& siteAtomList,
    const RankingInformation::RankedSubstituentsType& substituentRanking
  );

  static RankedSitesType rankSites(
    const SiteListType& sites,
    const RankedSubstituentsType& substituentRanking
  );

  RankedSubstituentsType substituentRanking;

  SiteListType sites;

  RankedSitesType siteRanking;

  std::vector<Link> links;


  void applyPermutation(const std::vector<AtomIndex>& permutation);


  SiteIndex getSiteIndexOf(AtomIndex i) const;

  unsigned getRankedIndexOfSite(SiteIndex i) const;

  bool hasHapticSites() const;

  bool operator == (const RankingInformation& other) const;
  bool operator != (const RankingInformation& other) const;
};

struct RankingInformation::Link {

  Link();

  Link(
    std::pair<SiteIndex, SiteIndex> siteIndices,
    std::vector<AtomIndex> sequence,
    AtomIndex source
  );

  std::pair<SiteIndex, SiteIndex> sites;

  std::vector<AtomIndex> cycleSequence;


  void applyPermutation(const std::vector<AtomIndex>& permutation);

  bool operator == (const Link& other) const;
  bool operator != (const Link& other) const;

  bool operator < (const Link& other) const;
};

} // namespace Molassembler
} // namespace Scine

#endif