Sort.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 <vector>
#include "Priority.h"
 
namespace RDKit {
namespace CIPLabeler {
 
class SequenceRule;
class Edge;
class Node;
 
/**
 * A simple insertion sort for substituents. The number of substituents is not
 * likely to be large enough that doing a merge sort would make a difference
 *
 */
class Sort {
 public:
  Sort(const SequenceRule *comparator);
 
  Sort(std::vector<const SequenceRule *> comparators);
 
  const std::vector<const SequenceRule *> &getRules() const;
 
  Priority prioritize(const Node *node, std::vector<Edge *> &edges,
                      bool deep = true) const;
 
  std::vector<std::vector<Edge *>> getGroups(
      const std::vector<Edge *> &sorted) const;
 
 private:
  const std::vector<const SequenceRule *> d_rules;
 
  int compareSubstituents(const Node *node, const Edge *a, const Edge *b,
                          bool deep) const;
};  // namespace CIPLabeler
 
}  // namespace CIPLabeler
}  // namespace RDKit