Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Molecular_potential_energy_contribution< Visitor, Term, Terms > Class Template Reference

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 Visitor::Covalent_structure Covalent_structure
typedef Term::Conformation Conformation
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

Detailed Description

template<class Visitor, class Term, typename... Terms>
class SBL::CSB::T_Molecular_potential_energy_contribution< Visitor, Term, Terms >

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.

Template Parameters
Visitor: model of a class defining the Iterator type, the begin() and end() static methods for iterating over all interesting tuples of particles
Termmodel of functor taking a tuple of particles as input and returning their contribution to the energy function for the given term.
TermsWith C++11, it is possible to add different terms using the same visitor through the variadic template feature.

Member Typedef Documentation

◆ Conformation

typedef Term::Conformation Conformation

◆ Covalent_structure

typedef Visitor::Covalent_structure Covalent_structure

◆ FT

typedef Term::FT FT

◆ Molar_energy_quantity

typedef Term::Potential_energy_parameters::Unit_system_traits::Molar_energy_quantity Molar_energy_quantity

◆ Self

typedef T_Molecular_potential_energy_contribution<Visitor, Term, Terms...> Self

Member Function Documentation

◆ operator()()

T_Molecular_potential_energy_contribution< Visitor, Term, Terms... >::Molar_energy_quantity operator() ( const Conformation C,
const Covalent_structure S 
) const