T_Linear_polymer_representation< ParticleTraits, MolecularCovalentStructure, ConformationType, DAMT >::Dihedral_angle Class Reference

Representation of a proper dihedral angle between four atoms. More...

#include <Linear_polymer_representation.hpp>

Public Member Functions
Bond	get_left_bond ()
	Return the leftmost bond.
Bond	get_center_bond ()
	Return the central bond.
Bond	get_right_bond ()
	Return the rightmost bond.
const Atom &	get_left_atom () const
	Return the leftmost atom.
const Atom &	get_left_center_atom () const
	Return the second left atom.
const Atom &	get_right_center_atom () const
	Return the second right atom.
const Atom &	get_right_atom () const
	Return the rightmost atom.
FT	get_dihedral_angle () const
	Return the value of this angle.

Detailed Description

template<class ParticleTraits, class MolecularCovalentStructure = SBL::CSB::T_Molecular_covalent_structure<SBL::CSB::T_Particle_info_biomolecules<ParticleTraits> >, class ConformationType = std::vector<SBL::CSB::EPIC_kernel_with_atom::FT>, class DAMT = std::map<void, boost::tuple<std::string, std::string, std::string, std::string>>>
class SBL::CSB::T_Linear_polymer_representation< ParticleTraits, MolecularCovalentStructure, ConformationType, DAMT >::Dihedral_angle

Representation of a proper dihedral angle between four atoms.

Member Function Documentation

get_center_bond()

template<class ParticleTraits, class MolecularCovalentStructure = SBL::CSB::T_Molecular_covalent_structure<SBL::CSB::T_Particle_info_biomolecules<ParticleTraits> >, class ConformationType = std::vector<SBL::CSB::EPIC_kernel_with_atom::FT>, class DAMT = std::map<void, boost::tuple<std::string, std::string, std::string, std::string>>>

Bond get_center_bond ( )

inline

Return the central bond.

get_dihedral_angle()

template<class ParticleTraits, class MolecularCovalentStructure = SBL::CSB::T_Molecular_covalent_structure<SBL::CSB::T_Particle_info_biomolecules<ParticleTraits> >, class ConformationType = std::vector<SBL::CSB::EPIC_kernel_with_atom::FT>, class DAMT = std::map<void, boost::tuple<std::string, std::string, std::string, std::string>>>

FT get_dihedral_angle ( ) const

inline

Return the value of this angle.

get_left_atom()

template<class ParticleTraits, class MolecularCovalentStructure = SBL::CSB::T_Molecular_covalent_structure<SBL::CSB::T_Particle_info_biomolecules<ParticleTraits> >, class ConformationType = std::vector<SBL::CSB::EPIC_kernel_with_atom::FT>, class DAMT = std::map<void, boost::tuple<std::string, std::string, std::string, std::string>>>

const Atom & get_left_atom ( ) const

inline

Return the leftmost atom.

get_left_bond()

template<class ParticleTraits, class MolecularCovalentStructure = SBL::CSB::T_Molecular_covalent_structure<SBL::CSB::T_Particle_info_biomolecules<ParticleTraits> >, class ConformationType = std::vector<SBL::CSB::EPIC_kernel_with_atom::FT>, class DAMT = std::map<void, boost::tuple<std::string, std::string, std::string, std::string>>>

Bond get_left_bond ( )

inline

Return the leftmost bond.

get_left_center_atom()

template<class ParticleTraits, class MolecularCovalentStructure = SBL::CSB::T_Molecular_covalent_structure<SBL::CSB::T_Particle_info_biomolecules<ParticleTraits> >, class ConformationType = std::vector<SBL::CSB::EPIC_kernel_with_atom::FT>, class DAMT = std::map<void, boost::tuple<std::string, std::string, std::string, std::string>>>

const Atom & get_left_center_atom ( ) const

inline

Return the second left atom.

get_right_atom()

template<class ParticleTraits, class MolecularCovalentStructure = SBL::CSB::T_Molecular_covalent_structure<SBL::CSB::T_Particle_info_biomolecules<ParticleTraits> >, class ConformationType = std::vector<SBL::CSB::EPIC_kernel_with_atom::FT>, class DAMT = std::map<void, boost::tuple<std::string, std::string, std::string, std::string>>>

const Atom & get_right_atom ( ) const

inline

Return the rightmost atom.

get_right_bond()

template<class ParticleTraits, class MolecularCovalentStructure = SBL::CSB::T_Molecular_covalent_structure<SBL::CSB::T_Particle_info_biomolecules<ParticleTraits> >, class ConformationType = std::vector<SBL::CSB::EPIC_kernel_with_atom::FT>, class DAMT = std::map<void, boost::tuple<std::string, std::string, std::string, std::string>>>

Bond get_right_bond ( )

inline

Return the rightmost bond.

get_right_center_atom()

template<class ParticleTraits, class MolecularCovalentStructure = SBL::CSB::T_Molecular_covalent_structure<SBL::CSB::T_Particle_info_biomolecules<ParticleTraits> >, class ConformationType = std::vector<SBL::CSB::EPIC_kernel_with_atom::FT>, class DAMT = std::map<void, boost::tuple<std::string, std::string, std::string, std::string>>>

const Atom & get_right_center_atom ( ) const

inline

Return the second right atom.