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69 lines
1.5 KiB
C++
69 lines
1.5 KiB
C++
//
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//
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// Copyright (C) 2020 Schrödinger, LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#pragma once
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#include <stdexcept>
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#include <memory>
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#include <vector>
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#include "../CIPLabeler.h"
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#include "../Descriptor.h"
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#include "../Edge.h"
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#include "../Node.h"
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#include "../Sort.h"
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#include "Pairlist.h"
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namespace RDKit {
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namespace CIPLabeler {
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class CIPMol;
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namespace {
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template <typename T>
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inline int three_way_comparison(const T &x, const T &y) {
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return x < y ? -1 : (x == y ? 0 : 1);
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}
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} // namespace
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class SequenceRule {
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public:
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SequenceRule();
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virtual ~SequenceRule();
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Descriptor getBondLabel(const Edge *edge) const;
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int getComparision(const Edge *a, const Edge *b) const;
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virtual int getComparision(const Edge *a, const Edge *b, bool deep) const;
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virtual const Sort *getSorter() const;
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int recursiveCompare(const Edge *a, const Edge *b) const;
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void setSorter(const Sort *sorter);
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Priority sort(const Node *node, std::vector<Edge *> &edges, bool deep) const;
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Priority sort(const Node *node, std::vector<Edge *> &edges) const;
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virtual int compare(const Edge *a, const Edge *b) const = 0;
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protected:
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std::unique_ptr<const Sort> dp_sorter = nullptr;
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private:
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bool areUpEdges(Node *aNode, Node *bNode, Edge *aEdge, Edge *bEdge) const;
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};
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} // namespace CIPLabeler
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} // namespace RDKit
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