molecular_system.h File Reference

#include <map>
#include <list>
#include <vector>
#include <cassert>
#include <string>
#include <iostream>
#include <boost/tuple/tuple.hpp>
#include <ESBTL/iterators.h>
#include <ESBTL/constants.h>

Go to the source code of this file.

Classes
class	ESBTL::Molecular_system< Items, Point >
class	ESBTL::Molecular_model< System_ >
class	ESBTL::Molecular_chain< System >
class	ESBTL::Molecular_residue< System >
class	ESBTL::Molecular_atom< System_, Point >
struct	ESBTL::Default_system_items
struct	ESBTL::Default_system_items::Model_wrapper< System, Point >
struct	ESBTL::Default_system_items::Chain_wrapper< System, Point >
struct	ESBTL::Default_system_items::Residue_wrapper< System, Point >
struct	ESBTL::Default_system_items::Atom_wrapper< System, Point >
Namespaces
namespace	ESBTL
Functions
template<class System >
char	ESBTL::get_chain_identifier (const Molecular_chain< System > &c)
template<class System >
const std::string &	ESBTL::get_residue_name (const Molecular_residue< System > &r)
template<class System >
int	ESBTL::get_residue_sequence_number (const Molecular_residue< System > &r)
template<class System >
char	ESBTL::get_insertion_code (const Molecular_residue< System > &r)
template<class System , class Point >
bool	ESBTL::get_is_hetatm (const Molecular_atom< System, Point > &a)
template<class System , class Point >
int	ESBTL::get_atom_serial_number (const Molecular_atom< System, Point > &a)
template<class System , class Point >
const std::string &	ESBTL::get_atom_name (const Molecular_atom< System, Point > &a)
template<class System , class Point >
char	ESBTL::get_alternate_location (const Molecular_atom< System, Point > &a)
template<class System , class Point >
double	ESBTL::get_occupancy (const Molecular_atom< System, Point > &a)
template<class System , class Point >
double	ESBTL::get_temperature_factor (const Molecular_atom< System, Point > &a)
template<class System , class Point >
const std::string &	ESBTL::get_element (const Molecular_atom< System, Point > &a)
template<class System , class Point >
int	ESBTL::get_charge (const Molecular_atom< System, Point > &a)
template<class System , class Point >
char	ESBTL::get_chain_identifier (const Molecular_atom< System, Point > &a)
template<class System , class Point >
const std::string &	ESBTL::get_residue_name (const Molecular_atom< System, Point > &a)
template<class System , class Point >
int	ESBTL::get_residue_sequence_number (const Molecular_atom< System, Point > &a)
template<class System , class Point >
char	ESBTL::get_insertion_code (const Molecular_atom< System, Point > &a)
template<class System , class Point >
char	ESBTL::get_x (const Molecular_atom< System, Point > &a)
template<class System , class Point >
char	ESBTL::get_y (const Molecular_atom< System, Point > &a)
template<class System , class Point >
char	ESBTL::get_z (const Molecular_atom< System, Point > &a)