29 #ifndef CDPL_DESCR_FEATURERDFCODECALCULATOR_HPP
30 #define CDPL_DESCR_FEATURERDFCODECALCULATOR_HPP
44 class FeatureContainer;
Definition of the preprocessor macro CDPL_DESCR_API.
#define CDPL_DESCR_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Definition of class CDPL::Descr::RDFCodeCalculator.
Definition of vector data types.
RDFCodeCalculator implementation for the calculation of feature-centered radial distribution function...
Definition: FeatureRDFCodeCalculator.hpp:62
FeatureRDFCodeCalculator()
Constructs the FeatureRDFCodeCalculator instance.
FeatureRDFCodeCalculator(const Pharm::FeatureContainer &cntnr, Math::DVector &rdf_code)
Constructs the FeatureRDFCodeCalculator instance and calculates the RDF code of the features provided...
void calculate(const Pharm::FeatureContainer &cntnr, Math::DVector &rdf_code)
Calculates the RDF code of the features provided by cntnr.
Generic implementation of the radial distribution function (RDF) code calculation for sequences of en...
Definition: RDFCodeCalculator.hpp:61
FeatureContainer.
Definition: FeatureContainer.hpp:54
The namespace of the Chemical Data Processing Library.