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

#include <Tetrahedral.h>

Inheritance diagram for RDKit::CIPLabeler::Tetrahedral:
RDKit::CIPLabeler::Configuration

Public Member Functions

 Tetrahedral ()=delete
 
 Tetrahedral (const CIPMol &mol, Atom *focus)
 
void setPrimaryLabel (Descriptor desc) override
 
Descriptor label (const Rules &comp) override
 
Descriptor label (Node *node, Digraph &digraph, const Rules &comp) override
 
- Public Member Functions inherited from RDKit::CIPLabeler::Configuration
 Configuration ()=delete
 
 Configuration (const CIPMol &mol, Atom *focus)
 
 Configuration (const CIPMol &mol, std::vector< Atom * > &&foci, bool atropisomerMode=false)
 
virtual ~Configuration ()
 
AtomgetFocus () const
 
const std::vector< Atom * > & getFoci () const
 
const std::vector< Atom * > & getCarriers () const
 
DigraphgetDigraph ()
 

Additional Inherited Members

- Static Public Member Functions inherited from RDKit::CIPLabeler::Configuration
template<typename T >
static int parity4 (const std::vector< T > &trg, const std::vector< T > &ref)
 
- Protected Member Functions inherited from RDKit::CIPLabeler::Configuration
EdgefindInternalEdge (const std::vector< Edge * > &edges, Atom *f1, Atom *f2)
 
bool isInternalEdge (const Edge *edge, Atom *f1, Atom *f2)
 
void removeInternalEdges (std::vector< Edge * > &edges, Atom *f1, Atom *f2)
 
bool isDuplicateOrHydrogenEdge (const Edge *edge)
 
void removeDuplicatesAndHs (std::vector< Edge * > &edges)
 
void setCarriers (std::vector< Atom * > &&carriers)
 

Detailed Description

Definition at line 18 of file Tetrahedral.h.

Constructor & Destructor Documentation

◆ Tetrahedral() [1/2]

RDKit::CIPLabeler::Tetrahedral::Tetrahedral ( )
delete

◆ Tetrahedral() [2/2]

RDKit::CIPLabeler::Tetrahedral::Tetrahedral ( const CIPMol mol,
Atom focus 
)

Member Function Documentation

◆ label() [1/2]

Descriptor RDKit::CIPLabeler::Tetrahedral::label ( const Rules comp)
overridevirtual

◆ label() [2/2]

Descriptor RDKit::CIPLabeler::Tetrahedral::label ( Node node,
Digraph digraph,
const Rules comp 
)
overridevirtual

Reimplemented from RDKit::CIPLabeler::Configuration.

◆ setPrimaryLabel()

void RDKit::CIPLabeler::Tetrahedral::setPrimaryLabel ( Descriptor  desc)
overridevirtual

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