Public Member Functions
const unsigned &	nb_atm_htm_seen () const
template<class Str_iterator >
	PDB_line_selector_chain (const Str_iterator &begin, const Str_iterator &end, bool keep_water=true, bool keep_remaining_chains=false, double Water_Bfactorlim=200, bool keep_hydrogen=false)
template<class Line_format , class Occupancy_handler >
int	keep (const Line_format &line_format, const std::string &line, Occupancy_handler &occupancy)
unsigned	max_nb_systems () const
Public Attributes
int	discarded

Detailed Description

This class is a line selector defining one system per group of chains provided.

Constructor & Destructor Documentation

template<class Str_iterator >

ESBTL::PDB_line_selector_chain::PDB_line_selector_chain	(	const Str_iterator &	begin,
		const Str_iterator &	end,
		bool	keep_water = `true`,
		bool	keep_remaining_chains = `false`,
		double	Water_Bfactorlim = `200`,
		bool	keep_hydrogen = `false`
	)		`[inline]`

Constructor from a range of string. A string AB indicates that the system is composed of chains A and B

Template Parameters:

Str_iterator is an iterator over std::string objects.

Parameters:

begin	is the first iterator of the range of strings.
end	is the past-end iterator of the range of strings.
keep_water	indicate whether water molecules should be kept.
keep_remaining_chains	indicates whether the last system should contains unselected chains.
Water_Bfactorlim	water molecules with a temperature factor higher that this value are discarded.
keep_hydrogen	indicates whether hydrogens atoms must be selected.

template<class Line_format , class Occupancy_handler >

int ESBTL::PDB_line_selector_chain::keep	(	const Line_format &	line_format,
		const std::string &	line,
		Occupancy_handler &	occupancy
	)		`[inline]`

unsigned ESBTL::PDB_line_selector_chain::max_nb_systems ( ) const [inline]

const unsigned& ESBTL::PDB_line_selector_chain::nb_atm_htm_seen ( ) const [inline]

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