All_atom_system_builder< System > Class Template Reference

#include <builder.h>

Public Types
typedef std::vector< System >	System_container

Public Member Functions
	All_atom_system_builder (System_container &systems, unsigned max_systems_)
template<class Line_format >
void	interpret_line (const Line_format &line_format, const std::string &line, int system_info)
void	create_systems (char altloc)

Detailed Description

template<class System>
class ESBTL::All_atom_system_builder< System >

Class responsible for building a system.

Template Parameters

System

is a system as ESBTL::Molecular_system.

Member Typedef Documentation

System_container

typedef std::vector<System> System_container

The container in which the system must be stored.

Constructor & Destructor Documentation

All_atom_system_builder()

All_atom_system_builder ( System_container &  systems, unsigned  max_systems_  )

inline

Constructor.

Parameters

systems	is a reference to the container in which created systems are inserted.
max_systems_	is an upper bound on the number of system to be created. Setting correctly this number is very important and the program will crash if not well set (in the current implementation it is used to set the size of the system container.)

Member Function Documentation

create_systems()

void create_systems ( char  altloc )

inline

Finalize the creation of the systems incrementally built.

Parameters

altloc

indicate the alternate location identification used for systems.

interpret_line()

void interpret_line ( const Line_format &  line_format, const std::string &  line, int  system_info  )

inline

Extract information from a line in a PDB file and add them to a system.

Template Parameters

Line_format

is a class providing functions to extract fields from a line of a PDB file (ESBTL::PDB::Line_format for example.).

Parameters

line_format	provides the functions to extract the fields.
line	is a line of a PDB file.
system_info	is the number of the system described by this line.