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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
Priority.h
RDKit::CIPLabeler::Edge
Definition Edge.h:23
RDKit::CIPLabeler::Node
Definition Node.h:27
RDKit::CIPLabeler::Priority
Definition Priority.h:21
RDKit::CIPLabeler::SequenceRule
Definition SequenceRule.h:36
RDKit::CIPLabeler::Sort
Definition Sort.h:28
RDKit::CIPLabeler::Sort::getRules
const std::vector< const SequenceRule * > & getRules() const
RDKit::CIPLabeler::Sort::getGroups
std::vector< std::vector< Edge * > > getGroups(const std::vector< Edge * > &sorted) const
RDKit::CIPLabeler::Sort::Sort
Sort(std::vector< const SequenceRule * > comparators)
RDKit::CIPLabeler::Sort::prioritize
Priority prioritize(const Node *node, std::vector< Edge * > &edges, bool deep=true) const
RDKit::CIPLabeler::Sort::Sort
Sort(const SequenceRule *comparator)
RDKit
Std stuff.
Definition Abbreviations.h:19
RDKit::rdvalue_is
bool rdvalue_is(const RDValue_cast_t)
Definition RDValue-doublemagic.h:372