ESBTL::Molecular_model< System_ > Class Template Reference

#include <molecular_system.h>

List of all members.

Public Types
typedef System_	System
typedef System::Chain	Chain
typedef std::map< char, Chain >	Chain_container
typedef internal::Chains_iterator_from_model < Self, true >	Chains_const_iterator
typedef internal::Chains_iterator_from_model < Self, false >	Chains_iterator
typedef internal::Residues_iterator_from_model < Self, true >	Residues_const_iterator
typedef internal::Residues_iterator_from_model < Self, false >	Residues_iterator
typedef internal::Atoms_iterator_from_model < Self, true >	Atoms_const_iterator
typedef internal::Atoms_iterator_from_model < Self, false >	Atoms_iterator
Public Member Functions
const System &	system () const
	Molecular_model (int nbm, const System &sys)
template<class Line_format >
Chain &	get_or_create_chain (const Line_format &line_format, const std::string &line)
Chain &	get_or_create_chain (char id)
const Chain &	get_chain (char id) const
const System::Residue &	get_residue (char ch_id, int ressn, char insc=' ') const
const System::Atom &	get_atom (char ch_id, int ressn, char insc, unsigned atom_sn) const
size_t	number_of_chains () const
size_t	number_of_residues () const
size_t	number_of_atoms () const
Chains_iterator	chains_begin ()
Chains_iterator	chains_end ()
Chains_const_iterator	chains_begin () const
Chains_const_iterator	chains_end () const
Residues_iterator	residues_begin ()
Residues_iterator	residues_end ()
Residues_const_iterator	residues_begin () const
Residues_const_iterator	residues_end () const
Atoms_iterator	atoms_begin ()
Atoms_iterator	atoms_end ()
Atoms_const_iterator	atoms_begin () const
Atoms_const_iterator	atoms_end () const
Static Public Member Functions
static const Chain &	dereference (typename Chain_container::const_iterator it)
static Chain &	dereference (typename Chain_container::iterator it)

---

Detailed Description

template<class System_>
class ESBTL::Molecular_model< System_ >

A class representing a model.

Template Parameters:

System_

is a system (like ESBTL::Molecular_system for example).

---

Member Typedef Documentation

template<class System_ >

typedef System::Chain ESBTL::Molecular_model< System_ >::Chain

template<class System_ >

typedef std::map<char,Chain> ESBTL::Molecular_model< System_ >::Chain_container

template<class System_ >

typedef System_ ESBTL::Molecular_model< System_ >::System

---

Constructor & Destructor Documentation

template<class System_ >

ESBTL::Molecular_model< System_ >::Molecular_model	(	int	nbm,
		const System &	sys
	)		[inline]

---

Member Function Documentation

template<class System_ >

static Chain& ESBTL::Molecular_model< System_ >::dereference

(

typename Chain_container::iterator

it

)

[inline, static]

template<class System_ >

static const Chain& ESBTL::Molecular_model< System_ >::dereference

(

typename Chain_container::const_iterator

it

)

[inline, static]

template<class System_ >

const System::Atom& ESBTL::Molecular_model< System_ >::get_atom	(	char	ch_id,
		int	ressn,
		char	insc,
		unsigned	atom_sn
	)		const [inline]

template<class System_ >

const Chain& ESBTL::Molecular_model< System_ >::get_chain

(

char

id

)

const [inline]

template<class System_ >

template<class Line_format >

Chain& ESBTL::Molecular_model< System_ >::get_or_create_chain	(	const Line_format &	line_format,
		const std::string &	line
	)		[inline]

template<class System_ >

Chain& ESBTL::Molecular_model< System_ >::get_or_create_chain

(

char

id

)

[inline]

template<class System_ >

const System::Residue& ESBTL::Molecular_model< System_ >::get_residue	(	char	ch_id,
		int	ressn,
		char	insc = ' '
	)		const [inline]

template<class System_ >

size_t ESBTL::Molecular_model< System_ >::number_of_atoms

(

)

const [inline]

template<class System_ >

size_t ESBTL::Molecular_model< System_ >::number_of_chains

(

)

const [inline]

template<class System_ >

size_t ESBTL::Molecular_model< System_ >::number_of_residues

(

)

const [inline]

template<class System_ >

const System& ESBTL::Molecular_model< System_ >::system

(

)

const [inline]

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

• molecular_system.h