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MeanAtomInformationContent Class Reference

Atom information content (mean). More...

#include <simpleDescriptors.h>

Inheritance diagram for MeanAtomInformationContent:

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

Public Member Functions

Constructors and Destructors
 MeanAtomInformationContent ()
 Default constructor.
 MeanAtomInformationContent (const MeanAtomInformationContent &maic)
 Copy constructor.
virtual ~MeanAtomInformationContent ()
 Destructor.
Assignment
MeanAtomInformationContent & operator= (const MeanAtomInformationContent &maic)
 Assignment operator.

Detailed Description

Atom information content (mean).

This is the entropy of the element distribution in the molecule (including implicit hydrogen). Let $n_i$ be the number of occurences of atomic number $i$ in the molecule. Let $p_i = {n_i}{ n_i}$. The value of this descriptor is the negative of the sum over all $i$ of $p_i p_i$.