#include <Salt_bridges_finder.hpp>

Classes
struct	Residue_info

struct	Salt_bridge

Public Types
typedef ParticleTraits	Particle_traits

typedef T_Salt_bridges_finder< Particle_traits >	Self

typedef Particle_traits::Molecular_system	Molecular_system

typedef Molecular_system::Residue	Residue

typedef Residue::Atoms_iterator	Atoms_iterator

typedef Residue::Atoms_const_iterator	Atoms_const_iterator

typedef Particle_traits::Get_geometric_representation	Get_geometric_representation

typedef Get_geometric_representation::Point_3	Point_3

typedef std::vector< Salt_bridge >	Salt_bridges

typedef std::vector< const Residue * >	Structure

Public Member Functions
	T_Salt_bridges_finder ()

boost::program_options::options_description	add_options (void) const

void	find_salt_bridges (void)

template<class InputIterator >
void	add_residues (InputIterator begin, InputIterator end)

const Salt_bridges &	get_salt_bridges (void) const

template<class Archive >
void	serialize (Archive &ar, const unsigned BOOST_PFTO int version) const

Static Public Attributes
static double	s_threshold = 4

static bool	s_use_center_of_mass = false

Member Typedef Documentation

◆ Atoms_const_iterator

typedef Residue::Atoms_const_iterator Atoms_const_iterator

◆ Atoms_iterator

typedef Residue::Atoms_iterator Atoms_iterator

◆ Get_geometric_representation

typedef Particle_traits::Get_geometric_representation Get_geometric_representation

◆ Molecular_system

typedef Particle_traits::Molecular_system Molecular_system

◆ Particle_traits

typedef ParticleTraits Particle_traits

◆ Point_3

typedef Get_geometric_representation::Point_3 Point_3

◆ Residue

typedef Molecular_system::Residue Residue

◆ Salt_bridges

typedef std::vector<Salt_bridge> Salt_bridges

◆ Self

typedef T_Salt_bridges_finder<Particle_traits> Self

◆ Structure

typedef std::vector<const Residue*> Structure

Constructor & Destructor Documentation

◆ T_Salt_bridges_finder()

T_Salt_bridges_finder ( )

inline

Member Function Documentation

◆ add_options()

boost::program_options::options_description add_options ( void ) const

◆ add_residues()

void add_residues	(	InputIterator	begin,
		InputIterator	end
	)

◆ find_salt_bridges()

void find_salt_bridges ( void )

◆ get_salt_bridges()

const T_Salt_bridges_finder< ParticleTraits >::Salt_bridges & get_salt_bridges ( void ) const

◆ serialize()

void serialize	(	Archive &	ar,
		const unsigned BOOST_PFTO int	version
	)		const