Chemical Data Processing Library C++ API - Version 1.1.1
Namespaces | Functions
Descr/AtomContainerFunctions.hpp File Reference

Declaration of functions that operate on Chem::AtomContainer instances. More...

#include "CDPL/Descr/APIPrefix.hpp"
#include "CDPL/Chem/Atom3DCoordinatesFunction.hpp"

Go to the source code of this file.

Namespaces

 CDPL
 The namespace of the Chemical Data Processing Library.
 
 CDPL::Chem
 Contains classes and functions related to chemistry.
 
 CDPL::Descr
 Contains classes and functions related to the generation and processing of pharmacophore and molecule descriptors.
 

Functions

CDPL_DESCR_API double CDPL::Descr::calcGeometricalRadius (const Chem::AtomContainer &cntnr, const Chem::Atom3DCoordinatesFunction &coords_func)
 
CDPL_DESCR_API double CDPL::Descr::calcGeometricalDiameter (const Chem::AtomContainer &cntnr, const Chem::Atom3DCoordinatesFunction &coords_func)
 

Detailed Description

Declaration of functions that operate on Chem::AtomContainer instances.