RDKit
Open-source cheminformatics and machine learning.
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RDKit::CIPLabeler::Rule3 Class Reference

#include <Rule3.h>

Inheritance diagram for RDKit::CIPLabeler::Rule3:
RDKit::CIPLabeler::SequenceRule

Public Member Functions

 Rule3 ()
 
int compare (const Edge *a, const Edge *b) const override
 
- Public Member Functions inherited from RDKit::CIPLabeler::SequenceRule
 SequenceRule ()
 
virtual ~SequenceRule ()
 
Descriptor getBondLabel (const Edge *edge) const
 
int getComparision (const Edge *a, const Edge *b) const
 
virtual int getComparision (const Edge *a, const Edge *b, bool deep) const
 
virtual const SortgetSorter () const
 
int recursiveCompare (const Edge *a, const Edge *b) const
 
void setSorter (const Sort *sorter)
 
Priority sort (const Node *node, std::vector< Edge * > &edges, bool deep) const
 
Priority sort (const Node *node, std::vector< Edge * > &edges) const
 

Additional Inherited Members

- Protected Attributes inherited from RDKit::CIPLabeler::SequenceRule
std::unique_ptr< const Sortdp_sorter = nullptr
 

Detailed Description

Sequence Rule 3 "‘seqcis’ (‘Z’) precedes ‘seqtrans’ (‘E’) and this order precedes nonstereogenic double bonds"

Definition at line 24 of file Rule3.h.

Constructor & Destructor Documentation

◆ Rule3()

RDKit::CIPLabeler::Rule3::Rule3 ( )

Member Function Documentation

◆ compare()

int RDKit::CIPLabeler::Rule3::compare ( const Edge a,
const Edge b 
) const
overridevirtual

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