ESBTL::Molecular_system< Items, Point > Class Template Reference

#include <molecular_system.h>

List of all members.

Public Types
typedef Items::template Model_wrapper < Molecular_system, Point > ::Type	Model
typedef Items::template Chain_wrapper < Molecular_system, Point > ::Type	Chain
typedef Items::template Atom_wrapper< Molecular_system, Point >::Type	Atom
typedef Items::template Residue_wrapper < Molecular_system, Point > ::Type	Residue
typedef std::map< int, Model >	Model_container
typedef internal::Model_iterator_from_system < Self, false >	Models_iterator
typedef internal::Model_iterator_from_system < Self, true >	Models_const_iterator
Public Member Functions
Models_iterator	models_begin ()
Models_iterator	models_end ()
Models_const_iterator	models_begin () const
Models_const_iterator	models_end () const
	Molecular_system (int index, std::string name="no_name")
template<class Line_format >
void	interpret_line (const Line_format &line_format, const std::string &line, int current_model)
bool	has_no_model () const
bool	has_model (int i) const
size_t	number_of_models () const
void	set_altloc (char c)
Model &	get_or_create_model (int i)
Model &	get_model (int i)
Static Public Member Functions
static const Model &	dereference (typename Model_container::const_iterator it)
static Model &	dereference (typename Model_container::iterator it)

---

Detailed Description

template<class Items, class Point>
class ESBTL::Molecular_system< Items, Point >

A class representing a molecular system.

Template Parameters:

Items	is a class gathering wrapper defining model, chain , residue and atom types (see Default_system_items or System_items_with_coarse_grain for example).
Point	is a point type with coordinates const access methods x(), y() and z().

---

Member Typedef Documentation

template<class Items, class Point>

typedef Items::template Atom_wrapper<Molecular_system,Point>::Type ESBTL::Molecular_system< Items, Point >::Atom

template<class Items, class Point>

typedef Items::template Chain_wrapper<Molecular_system,Point>::Type ESBTL::Molecular_system< Items, Point >::Chain

template<class Items, class Point>

typedef Items::template Model_wrapper<Molecular_system,Point>::Type ESBTL::Molecular_system< Items, Point >::Model

template<class Items, class Point>

typedef std::map<int,Model> ESBTL::Molecular_system< Items, Point >::Model_container

template<class Items, class Point>

typedef Items::template Residue_wrapper<Molecular_system,Point>::Type ESBTL::Molecular_system< Items, Point >::Residue

---

Constructor & Destructor Documentation

template<class Items, class Point>

ESBTL::Molecular_system< Items, Point >::Molecular_system	(	int	index,
		std::string	name = "no_name"
	)		[inline]

---

Member Function Documentation

template<class Items, class Point>

static const Model& ESBTL::Molecular_system< Items, Point >::dereference

(

typename Model_container::const_iterator

it

)

[inline, static]

template<class Items, class Point>

static Model& ESBTL::Molecular_system< Items, Point >::dereference

(

typename Model_container::iterator

it

)

[inline, static]

template<class Items, class Point>

Model& ESBTL::Molecular_system< Items, Point >::get_model

(

int

i

)

[inline]

template<class Items, class Point>

Model& ESBTL::Molecular_system< Items, Point >::get_or_create_model

(

int

i

)

[inline]

template<class Items, class Point>

bool ESBTL::Molecular_system< Items, Point >::has_model

(

int

i

)

const [inline]

template<class Items, class Point>

bool ESBTL::Molecular_system< Items, Point >::has_no_model

(

)

const [inline]

template<class Items, class Point>

template<class Line_format >

void ESBTL::Molecular_system< Items, Point >::interpret_line	(	const Line_format &	line_format,
		const std::string &	line,
		int	current_model
	)		[inline]

template<class Items, class Point>

size_t ESBTL::Molecular_system< Items, Point >::number_of_models

(

)

const [inline]

template<class Items, class Point>

void ESBTL::Molecular_system< Items, Point >::set_altloc

(

char

c

)

[inline]

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The documentation for this class was generated from the following file:

• molecular_system.h