T_Molecular_potential_energy_gradient_contribution< Visitor, Term, Terms > Class Template Reference

Contribution of an energy gradient term to the potential energy gradient function. More...

#include <Molecular_potential_energy_gradient.hpp>

Public Types
typedef T_Molecular_potential_energy_gradient_contribution< Visitor, Term, Terms... >	Self
typedef Term::Conformation	Conformation
typedef Visitor::Covalent_structure	Covalent_structure
typedef Term::Molar_energy_gradient_quantity	Molar_energy_gradient_quantity
typedef Term::FT	FT

Public Member Functions
void	operator() (const Conformation &C, const Covalent_structure &S, std::vector< Molar_energy_gradient_quantity > &gradient) const

Detailed Description

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

Contribution of an energy gradient term to the potential energy gradient 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
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.

Member Typedef Documentation

Conformation

typedef Term::Conformation Conformation

Covalent_structure

typedef Visitor::Covalent_structure Covalent_structure

FT

typedef Term::FT FT

Molar_energy_gradient_quantity

typedef Term::Molar_energy_gradient_quantity Molar_energy_gradient_quantity

Self

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

Member Function Documentation

operator()()

void operator() ( const Conformation &  C, const Covalent_structure &  S, std::vector< Molar_energy_gradient_quantity > &  gradient  ) const

inline