Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Molecular_potential_energy< Contribution, Contributions > Class Template Reference

Potential energy function adding up all the input contributions (C++11 only). More...

#include <Molecular_potential_energy.hpp>

Public Types

typedef T_Molecular_potential_energy< Contribution, Contributions... > Self
typedef Contribution::Conformation Conformation
typedef Contribution::Covalent_structure Covalent_structure
typedef Contribution::FT FT

Public Member Functions

auto operator() (const Conformation &C, const Covalent_structure &S) const

Detailed Description

template<class Contribution, typename... Contributions>
class SBL::CSB::T_Molecular_potential_energy< Contribution, Contributions >

Potential energy function adding up all the input contributions (C++11 only).

It uses variadic templates for adding up different contributions.

  \tparam Contribution model of a functor taking a conformation and its covalent structure and returning a given energy contribution.

  \tparam Contributions With C++11, it is possible to add different contributions through the variadic template feature.

Member Typedef Documentation

◆ Conformation

typedef Contribution::Conformation Conformation

◆ Covalent_structure

typedef Contribution::Covalent_structure Covalent_structure

◆ FT

typedef Contribution::FT FT

◆ Self

typedef T_Molecular_potential_energy<Contribution, Contributions...> Self

Member Function Documentation

◆ operator()()

auto operator() ( const Conformation C,
const Covalent_structure S 
) const