RDKit::CIPLabeler::Rule2 Class Reference

#include <Rule2.h>

Inheritance diagram for RDKit::CIPLabeler::Rule2:

Public Member Functions
	Rule2 ()
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 Sort *	getSorter () 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 Sort >	dp_sorter = nullptr

Detailed Description

Sequence Rule 2 "Higher atomic mass number precedes lower."

To resolve the ambiguity of what the "atomic mass" is in case of duplicate nodes, isotpes, etc, this is implmemented as the "proposed" rule 2 from the original paper:

"Higher mass precedes lower mass, where mass is defined in the case of a duplicate node as 0, an atom with isotope indicated as its exact isotopic mass, and in all other cases as the element’s atomic weight."

Definition at line 33 of file Rule2.h.

Constructor & Destructor Documentation

Rule2()

RDKit::CIPLabeler::Rule2::Rule2

(

)

Member Function Documentation

compare()

int RDKit::CIPLabeler::Rule2::compare ( const Edge *  a, const Edge *  b  ) const

overridevirtual

Implements RDKit::CIPLabeler::SequenceRule.

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

• Rule2.h