ParameterSection Class Reference
[General Purpose File Formats]

General Parameter Section Class. More...

#include <parameterSection.h>

Inheritance diagram for ParameterSection:

List of all members.

Public Types
Enums
enum	{ MAX_FIELDS = 20 }
Public Member Functions
Constructors and Destructors
	ParameterSection () throw ()
	Default constructor.
	ParameterSection (const ParameterSection &parameter_section) throw ()
	Copy constructor.
virtual	~ParameterSection () throw ()
	Destructor.
Extracting Data from the Section
bool	extractSection (Parameters &parameters, const String &section_name) throw ()
	Reads a parameter section from an INI file.
const String &	getSectionName () const throw ()
	Return the name of the section read.
const String &	getValue (const String &key, const String &variable) const throw ()
	Returns the value associated with the key and returns the value of the given variable.
bool	has (const String &key, const String &variable) const throw ()
	Query for a pair of key and variable.
bool	has (const String &key) const throw ()
	Query for a key.
bool	hasVariable (const String &variable) const throw ()
	Query whether a specified variable was defined in the format line.
Position	getColumnIndex (const String &variable) const throw ()
	Return the column index of a variable.
Size	getNumberOfVariables () const throw ()
	Returns the number of defined variables.
Size	getNumberOfKeys () const throw ()
	Returns the number of different keys defined.
const String &	getValue (Position key_index, Position variable_index) const throw ()
	Fast access to the value array.
const String &	getKey (Position key_index) const throw ()
	Fast access to the key array.
Assignment
virtual void	clear () throw ()
	Clear method.
const ParameterSection &	operator= (const ParameterSection &section) throw ()
	Assignment operator.
Predicates
virtual bool	isValid () const throw ()
	Validity predicate.
bool	operator== (const ParameterSection &parameter_section) const throw ()
	Equality operator.
Public Attributes
Public Members
Options	options
	The options read in from options lines contained in this section.
Static Public Attributes
const String	UNDEFINED
	Result Type for unknown items.
Protected Attributes
String	section_name_
String	format_line_
StringHashMap< Index >	section_entries_
StringHashMap< Index >	variable_names_
std::vector< String >	entries_
std::vector< String >	keys_
Size	number_of_variables_
std::vector< float >	version_
bool	valid_

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Detailed Description

General Parameter Section Class.

It is similar to INIFile , but a little bit more sophisticated. Just as in a INIFile there can be comment lines starting with either "<b>;</b>", "<b>!</b>" or "<b>\#</b>" and it is divided in sections. A section-line looks like "<b>[ElectricFieldEffect]</b>". The first non-comment line in a section is the format-line. It defines the sort of values stored in the section and their order:

"<b>key:residue key:atom value:charge </b>"

Option lines start with a "<b>@ </b>":

"<b>@exclude_residue_field=true </b>"

The values are stored in fields seperated by whitespaces in the order given by their format-line:

"<b> Ca Ca 9.6 </b>"

Each value line may contain version information, indicated by a variable definition named "ver"; thus only the latest version will be version will be accessed.

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Constructor & Destructor Documentation

ParameterSection::ParameterSection (   )  throw ()

Default constructor.

virtual ParameterSection::~ParameterSection (   )  throw () [virtual]

Destructor.

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Member Function Documentation

virtual void ParameterSection::clear (   )  throw () [virtual]

Clear method. Reimplemented in AtomTypes, CharmmEEF1, CosineTorsion, LennardJones, Potential1210, QuadraticAngleBend, QuadraticBondStretch, QuadraticImproperTorsion, ResidueTorsions, Templates, ClaverieParameter, SolventParameter, RDFParameter, and RDFSection.

bool ParameterSection::extractSection (  Parameters &  parameters, const String &  section_name )  throw ()

Reads a parameter section from an INI file. This method reads the section given in section_name from ini_file, interprets (if given) a format line, reads the data from this section according to the format, and builds some datastructures for fast and easy acces to the data. Parameters: parameters  the parameters defining the inifile to be read from section_name  the name of the section to be read (without the squared brackets) Returns: bool - true if the section could be read, false otherwise Reimplemented in AtomTypes, CharmmEEF1, CosineTorsion, LennardJones, Potential1210, QuadraticAngleBend, QuadraticBondStretch, QuadraticImproperTorsion, ResidueTorsions, Templates, SolventParameter, and RDFSection.

Position ParameterSection::getColumnIndex (  const String &  variable  )  const throw ()

Return the column index of a variable. If section doesn't have the variable, INVALID_POSITION is returned.

const String& ParameterSection::getKey (  Position  key_index  )  const throw ()

Fast access to the key array. The first key has the index 0. If the key is undefined, UNDEFINED is returned.

Size ParameterSection::getNumberOfKeys (   )  const throw ()

Returns the number of different keys defined.

Size ParameterSection::getNumberOfVariables (   )  const throw ()

Returns the number of defined variables.

const String& ParameterSection::getSectionName (   )  const throw ()

Return the name of the section read. The section name is empty before extractSection was called. Returns: the name of the section extracted

const String& ParameterSection::getValue (  Position  key_index, Position  variable_index )  const throw ()

Fast access to the value array. If the value is undefined, UNDEFINED is returned.

const String& ParameterSection::getValue (  const String &  key, const String &  variable )  const throw ()

Returns the value associated with the key and returns the value of the given variable. If the requested variable is not defined in the format line, an empty string is returned.

bool ParameterSection::has (  const String &  key  )  const throw ()

Query for a key. False is returned if the key could not be found. Parameters: key  the key to serch in the hash table Reimplemented in Templates.

bool ParameterSection::has (  const String &  key, const String &  variable )  const throw ()

Query for a pair of key and variable. False is returned if the key could not be found the the key was found but the variable name was not specified in the format line

bool ParameterSection::hasVariable (  const String &  variable  )  const throw ()

Query whether a specified variable was defined in the format line.

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Member Data Documentation

Options ParameterSection::options

The options read in from options lines contained in this section. Remember: options lines start with "@" as the first character and must be of the form "@name=value".

const String ParameterSection::UNDEFINED [static]

Result Type for unknown items.