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Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Contribution of an energy term to the potential energy function. More...
#include <Molecular_potential_energy.hpp>
Public Types | |
typedef T_Molecular_potential_energy_contribution< Visitor, Term, Terms... > | Self |
typedef Term::Conformation | Conformation |
typedef Visitor::Covalent_structure | Covalent_structure |
typedef Term::FT | FT |
typedef Term::Potential_energy_parameters::Unit_system_traits::Molar_energy_quantity | Molar_energy_quantity |
Public Member Functions | |
Molar_energy_quantity | operator() (const Conformation &C, const Covalent_structure &S) const |
Contribution of an energy term to the potential energy function.
It uses the Visitor for iterating over all interesting tuples of particles for computing the term given by Term.
Visitor | : model of a class defining the Iterator type, the begin() and end() static methods for iterating over all interesting tuples of particles |
Term | model of functor taking a tuple of particles as input and returning their contribution to the energy function for the given term. |
Terms | With C++11, it is possible to add different terms using the same visitor through the variadic template feature. |
typedef Term::Conformation Conformation |
typedef Visitor::Covalent_structure Covalent_structure |
typedef Term::FT FT |
typedef Term::Potential_energy_parameters::Unit_system_traits::Molar_energy_quantity Molar_energy_quantity |
typedef T_Molecular_potential_energy_contribution<Visitor, Term, Terms...> Self |
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