CycleFeasibility.h

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#ifndef INCLUDE_MOLASSEMBLER_STEREOPERMUTATORS_CYCLE_FEASIBILITY_H
#define INCLUDE_MOLASSEMBLER_STEREOPERMUTATORS_CYCLE_FEASIBILITY_H

#include "Molassembler/Modeling/CommonTrig.h"

namespace Scine {
namespace Molassembler {
namespace Stereopermutators {

struct BaseAtom {
  Utils::ElementType elementType;
  double distanceToLeft = 0;
  double distanceToRight = 0;
  double outOfPlaneDistance = 0;
};

bool cycleModelContradictsGraph(
  const std::vector<Utils::ElementType>& elementTypes,
  const std::vector<double>& cycleEdgeLengths,
  const std::vector<BaseAtom>& bases
);

bool triangleBondTooClose(
  const double a,
  const double b,
  const double angle,
  const double bondRadius
);

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

#endif