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

#include <BALL/FORMAT/parameterSection.h>

Inheritance diagram for BALL::ParameterSection:

Public Types
Enums

enum	{ MAX_FIELDS = 20 }
Public Member Functions
Constructors and Destructors

	ParameterSection ()
	ParameterSection (const ParameterSection &parameter_section)
virtual	~ParameterSection ()
Extracting Data from the Section

bool	extractSection (Parameters &parameters, const String &section_name)
const String &	getSectionName () const
const String &	getValue (const String &key, const String &variable) const
bool	has (const String &key, const String &variable) const
bool	has (const String &key) const
bool	hasVariable (const String &variable) const
Position	getColumnIndex (const String &variable) const
Size	getNumberOfVariables () const
Size	getNumberOfKeys () const
const String &	getValue (Position key_index, Position variable_index) const
const String &	getKey (Position key_index) const
Assignment

virtual void	clear ()
const ParameterSection &	operator= (const ParameterSection &section)
Predicates

virtual bool	isValid () const
bool	operator== (const ParameterSection &parameter_section) const
Public Attributes
Public Members

Options	options
Static Public Attributes
static const String	UNDEFINED
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_

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 ";", "!" or "\#" and it is divided in sections. A section-line looks like "[ElectricFieldEffect]". 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:

: "key:residue key:atom value:charge "

: Option lines start with a "@ ":

: "@exclude_residue_field=true "

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

: " Ca Ca 9.6 "

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.

Definition at line 39 of file parameterSection.h.

Member Enumeration Documentation

anonymous enum

Enumerator:

MAX_FIELDS

Definition at line 56 of file parameterSection.h.

Constructor & Destructor Documentation

BALL::ParameterSection::ParameterSection ( )

Default constructor.

BALL::ParameterSection::ParameterSection ( const ParameterSection & parameter_section )

Copy constructor

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

Destructor.

Member Function Documentation

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

Clear method.

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

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::GeneralizedBornModel::GBParameters, 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.

Size BALL::ParameterSection::getNumberOfKeys ( ) const

Returns the number of different keys defined.

Size BALL::ParameterSection::getNumberOfVariables ( ) const

Returns the number of defined variables.

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

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

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

virtual bool BALL::ParameterSection::isValid ( ) const [virtual]

Validity predicate

const ParameterSection& BALL::ParameterSection::operator= ( const ParameterSection & section )

Assignment operator

bool BALL::ParameterSection::operator== ( const ParameterSection & parameter_section ) const

Equality operator

Member Data Documentation

std::vector<String> BALL::ParameterSection::entries_ [protected]

Definition at line 220 of file parameterSection.h.

String BALL::ParameterSection::format_line_ [protected]

Definition at line 205 of file parameterSection.h.

std::vector<String> BALL::ParameterSection::keys_ [protected]

Definition at line 224 of file parameterSection.h.

Size BALL::ParameterSection::number_of_variables_ [protected]

Definition at line 229 of file parameterSection.h.

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".

Definition at line 193 of file parameterSection.h.

StringHashMap<Index> BALL::ParameterSection::section_entries_ [protected]

Definition at line 210 of file parameterSection.h.

String BALL::ParameterSection::section_name_ [protected]

Definition at line 201 of file parameterSection.h.

const String BALL::ParameterSection::UNDEFINED [static]

Result Type for unknown items.

Definition at line 48 of file parameterSection.h.

bool BALL::ParameterSection::valid_ [protected]

Definition at line 237 of file parameterSection.h.

StringHashMap<Index> BALL::ParameterSection::variable_names_ [protected]

Definition at line 214 of file parameterSection.h.