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