Tetrahedral.h

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//
//
//  Copyright (C) 2020 Schrödinger, LLC
//
//   @@ All Rights Reserved @@
//  This file is part of the RDKit.
//  The contents are covered by the terms of the BSD license
//  which is included in the file license.txt, found at the root
//  of the RDKit source tree.
//
#pragma once
 
#include "Configuration.h"
 
namespace RDKit {
namespace CIPLabeler {
 
class Tetrahedral : public Configuration {
 public:
  Tetrahedral() = delete;
 
  Tetrahedral(const CIPMol &mol, Atom *focus);
 
  void setPrimaryLabel(Descriptor desc) override;
 
  bool hasPrimaryLabel() const override;
 
  void resetPrimaryLabel() const override;
 
  Descriptor label(const Rules &comp) override;
 
  Descriptor label(Node *node, Digraph &digraph, const Rules &comp) override;
 
 private:
  Descriptor label(Node *node, const Rules &comp);
 
  std::vector<unsigned int> d_ranked_anchors;
};
 
}  // namespace CIPLabeler
}  // namespace RDKit