Rule4b.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 "SequenceRule.h"
 
namespace RDKit {
namespace CIPLabeler {
 
/**
 * A descriptor pair rule. This rule defines that like descriptor pairs have
 * priority over unlike descriptor pairs.
 *
 */
class Rule4b : public SequenceRule {
 public:
  Rule4b();
 
  Rule4b(Descriptor ref);
 
  int compare(const Edge *a, const Edge *b) const override;
 
 private:
  const Descriptor d_ref = Descriptor::NONE;
 
  std::vector<Descriptor> getReferenceDescriptors(const Node *node) const;
 
  bool hasDescriptors(const Node *node) const;
 
  bool getReference(const std::vector<const Node *> &nodes,
                    std::vector<Descriptor> &result) const;
 
  std::vector<std::vector<const Node *>> initialLevel(const Node *node) const;
 
  std::vector<std::vector<const Node *>> getNextLevel(
      const std::vector<std::vector<const Node *>> &prevLevel) const;
 
  std::vector<const Node *> toNodeList(
      const std::vector<Edge *> &eqEdges) const;
 
  std::vector<PairList> newPairLists(
      const std::vector<Descriptor> &descriptors) const;
 
  void fillPairs(const Node *beg, PairList &plist) const;
 
  int comparePairs(const Node *a, const Node *b, Descriptor refA,
                   Descriptor refB) const;
 
  Sort getRefSorter(const SequenceRule *replacement_rule) const;
};
 
}  // namespace CIPLabeler
}  // namespace RDKit