FeasiblePermutations.h

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#ifndef INCLUDE_MOLASSEMBLER_STEREOPERMUTATIONS_FEASIBLE_PERMUTATIONS_H
#define INCLUDE_MOLASSEMBLER_STEREOPERMUTATIONS_FEASIBLE_PERMUTATIONS_H

#include "Molassembler/DistanceGeometry/ValueBounds.h"
#include "Molassembler/Options.h"
#include "Molassembler/Stereopermutators/ShapeVertexMaps.h"

#include "Molassembler/Stereopermutation/Stereopermutation.h"

namespace Scine {
namespace Molassembler {
namespace Stereopermutators {

// Forward-declarations
struct Abstract;

struct Feasible {
  using ConeAngleType = std::vector<
    boost::optional<DistanceGeometry::ValueBounds>
  >;


  static bool linkPossiblyFeasible(
    const RankingInformation::Link& link,
    AtomIndex placement,
    const ConeAngleType& cones,
    const RankingInformation& ranking,
    Shapes::Shape shape,
    const SiteToShapeVertexMap& shapeVertexMap,
    const Graph& graph
  );

  static bool possiblyFeasible(
    const Stereopermutations::Stereopermutation& assignment,
    AtomIndex placement,
    const RankingInformation::RankedSitesType& canonicalSites,
    const ConeAngleType& coneAngles,
    const RankingInformation& ranking,
    Shapes::Shape shape,
    const Graph& graph
  );

  Feasible() = default;

  Feasible(
    const Abstract& abstractPermutations,
    Shapes::Shape shape,
    AtomIndex placement,
    const RankingInformation& ranking,
    const Graph& graph
  );

  std::vector<DistanceGeometry::ValueBounds> siteDistances;

  ConeAngleType coneAngles;

  std::vector<unsigned> indices;
};

} // namespace Stereopermutators
} // namespace Molassembler
} // namespace Scine

#endif