ESBTL::PDB::Line_format< Mandatory_fields > Class Template Reference

#include <PDB.h>

List of all members.

Public Member Functions
	Line_format (const std::string &line)
bool	is_hetatm () const
std::string	get_record_name (const std::string &line) const
int	get_atom_serial_number (const std::string &line) const
std::string	get_atom_name (const std::string &line) const
char	get_alternate_location (const std::string &line) const
std::string	get_residue_name (const std::string &line) const
char	get_chain_identifier (const std::string &line) const
int	get_residue_sequence_number (const std::string &line) const
char	get_insertion_code (const std::string &line) const
double	get_x (const std::string &line) const
double	get_y (const std::string &line) const
double	get_z (const std::string &line) const
double	get_occupancy (const std::string &line) const
double	get_temperature_factor (const std::string &line) const
std::string	get_element (const std::string &line) const
std::string	get_charge_str (const std::string &line) const
int	get_charge (const std::string &line) const
int	get_model_number (const std::string &line) const
PDB::Record_type	record_type () const

---

Detailed Description

template<class Mandatory_fields = Mandatory_fields_default>
class ESBTL::PDB::Line_format< Mandatory_fields >

Helper class handle to extract fields from line of a PDB file.

Template Parameters:

Mandatory_fields

is a class indicating which fields are mandatory (see ESBTL::PDB::Mandatory_fields_default for requirements).

---

Constructor & Destructor Documentation

template<class Mandatory_fields = Mandatory_fields_default>

ESBTL::PDB::Line_format< Mandatory_fields >::Line_format

(

const std::string &

line

)

[inline]

Constructor.

Parameters:

line	is a line of a PDB file.

---

Member Function Documentation

template<class Mandatory_fields = Mandatory_fields_default>

char ESBTL::PDB::Line_format< Mandatory_fields >::get_alternate_location

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

std::string ESBTL::PDB::Line_format< Mandatory_fields >::get_atom_name

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

int ESBTL::PDB::Line_format< Mandatory_fields >::get_atom_serial_number

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

char ESBTL::PDB::Line_format< Mandatory_fields >::get_chain_identifier

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

int ESBTL::PDB::Line_format< Mandatory_fields >::get_charge

(

const std::string &

line

)

const [inline]

extract the field charge as an integer. If a charge cannot be extacted from line and Mandatory_fields::charge_str is false then 99 is returned.

template<class Mandatory_fields = Mandatory_fields_default>

std::string ESBTL::PDB::Line_format< Mandatory_fields >::get_charge_str

(

const std::string &

line

)

const [inline]

extract the field charge as a string.

template<class Mandatory_fields = Mandatory_fields_default>

std::string ESBTL::PDB::Line_format< Mandatory_fields >::get_element

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

char ESBTL::PDB::Line_format< Mandatory_fields >::get_insertion_code

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

int ESBTL::PDB::Line_format< Mandatory_fields >::get_model_number

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

double ESBTL::PDB::Line_format< Mandatory_fields >::get_occupancy

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

std::string ESBTL::PDB::Line_format< Mandatory_fields >::get_record_name

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

std::string ESBTL::PDB::Line_format< Mandatory_fields >::get_residue_name

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

int ESBTL::PDB::Line_format< Mandatory_fields >::get_residue_sequence_number

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

double ESBTL::PDB::Line_format< Mandatory_fields >::get_temperature_factor

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

double ESBTL::PDB::Line_format< Mandatory_fields >::get_x

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

double ESBTL::PDB::Line_format< Mandatory_fields >::get_y

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

double ESBTL::PDB::Line_format< Mandatory_fields >::get_z

(

const std::string &

line

)

const [inline]

template<class Mandatory_fields = Mandatory_fields_default>

bool ESBTL::PDB::Line_format< Mandatory_fields >::is_hetatm

(

)

const [inline]

Indicates whether the line read is a coordinate line of an hetero-atom.

template<class Mandatory_fields = Mandatory_fields_default>

PDB::Record_type ESBTL::PDB::Line_format< Mandatory_fields >::record_type

(

)

const [inline]

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

• PDB.h