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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_DESCR_ATOMRDFCODECALCULATOR_HPP
30 #define CDPL_DESCR_ATOMRDFCODECALCULATOR_HPP
70 #endif // CDPL_DESCR_ATOMRDFCODECALCULATOR_HPP
AtomRDFCodeCalculator(const Chem::AtomContainer &cntnr, Math::DVector &rdf_code)
Definition of the class CDPL::Descr::RDFCodeCalculator.
AtomRDFCodeCalculator()
Constructs the AtomRDFCodeCalculator instance.
A common interface for data-structures that support a random access to stored Chem::Atom instances.
Definition: AtomContainer.hpp:55
RDFCodeCalculator.
Definition: RDFCodeCalculator.hpp:53
The namespace of the Chemical Data Processing Library.
void calculate(const Chem::AtomContainer &cntnr, Math::DVector &rdf_code)
AtomRDFCodeCalculator.
Definition: AtomRDFCodeCalculator.hpp:55
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 vector data types.