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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_DESCR_ATOMAUTOCORRELATION3DVECTORCALCULATOR_HPP
30 #define CDPL_DESCR_ATOMAUTOCORRELATION3DVECTORCALCULATOR_HPP
69 #endif // CDPL_DESCR_ATOMAUTOCORRELATION3DVECTORCALCULATOR_HPP
AtomAutoCorrelation3DVectorCalculator()
Constructs the AtomAutoCorrelation3DVectorCalculator instance.
AtomAutoCorrelation3DVectorCalculator.
Definition: AtomAutoCorrelation3DVectorCalculator.hpp:54
Definition of the class CDPL::Descr::AutoCorrelation3DVectorCalculator.
AtomAutoCorrelation3DVectorCalculator(const Chem::AtomContainer &cntnr, Math::DVector &vec)
A common interface for data-structures that support a random access to stored Chem::Atom instances.
Definition: AtomContainer.hpp:55
QuaternionVectorAdapter< E > vec(QuaternionExpression< E > &e)
Definition: QuaternionAdapter.hpp:237
void calculate(const Chem::AtomContainer &cntnr, Math::DVector &vec)
The namespace of the Chemical Data Processing Library.
AutoCorrelation3DVectorCalculator.
Definition: AutoCorrelation3DVectorCalculator.hpp:52
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.