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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_GRAIL_BINDINGAFFINITYCALCULATOR_HPP
30 #define CDPL_GRAIL_BINDINGAFFINITYCALCULATOR_HPP
64 #endif // CDPL_GRAIL_BINDINGAFFINITYCALCULATOR_HPP
BindingAffinityCalculator.
Definition: BindingAffinityCalculator.hpp:46
@ PKD
Definition: BindingAffinityCalculator.hpp:52
AffinityMeasure
Definition: BindingAffinityCalculator.hpp:50
Definition of the preprocessor macro CDPL_GRAIL_API.
The namespace of the Chemical Data Processing Library.
double operator()(const Math::DVector &grail_descr, AffinityMeasure measure) const
BindingAffinityCalculator()
Definition: BindingAffinityCalculator.hpp:57
#define CDPL_GRAIL_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Definition of vector data types.
@ PKI
Definition: BindingAffinityCalculator.hpp:53