RDKit
Open-source cheminformatics and machine learning.
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RDKit::CIPLabeler::Sort Class Reference

#include <Sort.h>

Public Member Functions

 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
 

Detailed Description

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

Definition at line 28 of file Sort.h.

Constructor & Destructor Documentation

◆ Sort() [1/2]

RDKit::CIPLabeler::Sort::Sort ( const SequenceRule * comparator)

◆ Sort() [2/2]

RDKit::CIPLabeler::Sort::Sort ( std::vector< const SequenceRule * > comparators)

Member Function Documentation

◆ getGroups()

std::vector< std::vector< Edge * > > RDKit::CIPLabeler::Sort::getGroups ( const std::vector< Edge * > & sorted) const

◆ getRules()

const std::vector< const SequenceRule * > & RDKit::CIPLabeler::Sort::getRules ( ) const

◆ prioritize()

Priority RDKit::CIPLabeler::Sort::prioritize ( const Node * node,
std::vector< Edge * > & edges,
bool deep = true ) const

The documentation for this class was generated from the following file: