BALL  1.4.1
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BALL::VertexAdjacencyEquality Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

Inheritance diagram for BALL::VertexAdjacencyEquality:
BALL::SimpleBase BALL::Descriptor BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< AtomContainer, Processor::Result >

List of all members.

Public Member Functions

Constructors and Destructors
 VertexAdjacencyEquality ()
 VertexAdjacencyEquality (const VertexAdjacencyEquality &vae)
virtual ~VertexAdjacencyEquality ()
Assignment
VertexAdjacencyEqualityoperator= (const VertexAdjacencyEquality &vae)
Accessors
double compute (AtomContainer &ac)

Detailed Description

The vertex adjacency equality si calculateed using the formula: \(-(1-f) (1-f) - f f \), where $f$ is defined as: \( f = {(n^2 -2m)}{n^2}\), where $n$ is the number of heavy atoms and $m$ is the number of heavy bonds. If $f$ is not in $(0,1)$ then $0$ is returned.

Definition at line 1054 of file simpleDescriptors.h.


Constructor & Destructor Documentation

Default constructor

Copy constructor

Destructor


Member Function Documentation

Reimplemented from BALL::Descriptor.

VertexAdjacencyEquality& BALL::VertexAdjacencyEquality::operator= ( const VertexAdjacencyEquality vae)

Assignment operator

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