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VertexAdjacency Class Reference

The vertex adjacency is calculated using the formula \( 1 + m \), where $m$ is the number of heavy bonds. More...

#include <simpleDescriptors.h>

Inheritance diagram for VertexAdjacency:

SimpleBase Descriptor UnaryProcessor< AtomContainer > UnaryFunctor< AtomContainer, Processor::Result > List of all members.

Public Member Functions

Constructors and Destructors
 VertexAdjacency ()
 Default constructor.
 VertexAdjacency (const VertexAdjacency &va)
 Copy constructor.
virtual ~VertexAdjacency ()
 Destructor.
Assignment
VertexAdjacency & operator= (const VertexAdjacency &va)
 Assignment operator.
Accessors
double compute (AtomContainer &ac)

Detailed Description

The vertex adjacency is calculated using the formula \( 1 + m \), where $m$ is the number of heavy bonds.