BALL::MeanAtomInformationContent Class Reference
Atom information content (mean). More...#include <simpleDescriptors.h>
Inheritance diagram for BALL::MeanAtomInformationContent:
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Public Member Functions |
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Constructors and Destructors
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| MeanAtomInformationContent () | |
| Default constructor. |
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| MeanAtomInformationContent (const MeanAtomInformationContent &maic) | |
| Copy constructor. |
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| virtual | ~MeanAtomInformationContent () |
| Destructor. |
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Assignment
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| MeanAtomInformationContent & | operator= (const MeanAtomInformationContent &maic) |
| Assignment operator. |
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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 $p_i p_i$.
