Options.h

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#ifndef INCLUDE_MOLASSEMBLER_OPTIONS_H
#define INCLUDE_MOLASSEMBLER_OPTIONS_H

#include "Molassembler/Shapes/Shapes.h"
#include "Molassembler/Prng.h"

#include "Utils/Geometry/ElementTypes.h"
#include "Molassembler/AngstromPositions.h"

namespace Scine {
namespace Molassembler {

// Forward-declarations
class Graph;

MASM_EXPORT Random::Engine& randomnessEngine();

enum class MASM_EXPORT ChiralStatePreservation {
  None,
  EffortlessAndUnique,
  Unique,
  RandomFromMultipleBest
};

enum class MASM_EXPORT ShapeTransition {
  PrioritizeInferenceFromGraph,
  MaximizeChiralStatePreservation
};

struct MASM_EXPORT Options {
  struct Thermalization {
    static bool pyramidalInversion;

    static bool berryPseudorotation;

    static bool bartellMechanism;

    static inline void enable() {
      pyramidalInversion = true;
      berryPseudorotation = true;
      bartellMechanism = true;
    }

    static inline void disable() {
      pyramidalInversion = false;
      berryPseudorotation = false;
      bartellMechanism = false;
    }
  };

  static ChiralStatePreservation chiralStatePreservation;

  static ShapeTransition shapeTransition;
};

} // namespace Molassembler
} // namespace Scine

#endif