BALL::ParameterSection Class Reference
[General Purpose File Formats]

General Parameter Section Class. More...

#include <parameterSection.h>

Inheritance diagram for BALL::ParameterSection:

[legend]

List of all members.

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

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

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 BALL::AtomTypes, BALL::CharmmEEF1, BALL::CosineTorsion, BALL::LennardJones, BALL::Potential1210, BALL::QuadraticAngleBend, BALL::QuadraticBondStretch, BALL::QuadraticImproperTorsion, BALL::ResidueTorsions, BALL::Templates, BALL::SolventParameter, and BALL::RDFSection.

Position BALL::ParameterSection::getColumnIndex

(

const String &

variable

)

const

Return the column index of a variable.

If section doesn't have the variable, INVALID_POSITION is returned.

const String& BALL::ParameterSection::getKey

(

Position

key_index

)

const

Fast access to the key array.

The first key has the index 0. If the key is undefined, UNDEFINED is returned.

const String& BALL::ParameterSection::getSectionName

(

)

const

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& BALL::ParameterSection::getValue	(	Position	key_index,
		Position	variable_index
	)			const

Fast access to the value array.

If the value is undefined, UNDEFINED is returned.

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

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 BALL::ParameterSection::has

(

const String &

key

)

const

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 BALL::Templates.

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

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

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Member Data Documentation

Options BALL::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".