BALL::SolventParameter Class Reference
[Solvation methods]

Parameter section for the solvent description. More...

#include <solventParameter.h>

Inheritance diagram for BALL::SolventParameter:

[legend]

List of all members.

Public Member Functions
virtual bool	extractSection (Parameters &parameters, const String &section_name)
	Reads a parameter section from an INI file.
Constructors and destructors.
	SolventParameter ()
	Default constructor.
	SolventParameter (const SolventParameter &param)
	Copy constructor.
	SolventParameter (const AtomTypes &atom_types)
virtual	~SolventParameter ()
	Destructor.
Assignment
const SolventParameter &	operator= (const SolventParameter &param)
	Assignment operator.
virtual void	clear ()
	Clear method.
Accessors
const SolventDescriptor &	getSolventDescriptor () const
	Return a SolventDescriptor with the values from the parameter file.
SolventDescriptor &	getSolventDescriptor ()
	Return a SolventDescriptor with the values from the parameter file.
const String &	getSolventName () const
	Return the name of the SolventDescriptor.
const float &	getSolventDensity () const
	Return the solvents density.
const std::vector < SolventAtomDescriptor > &	getSolventDescription () const
	Return the SolventDescription.
Predicates
bool	operator== (const SolventParameter &param) const
	Equality operator.
Protected Attributes
String	name_
float	number_density_
std::vector < SolventAtomDescriptor >	solvent_atoms_
SolventDescriptor	solvent_descriptor_
AtomTypes	atom_types_

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Detailed Description

Parameter section for the solvent description.

This class provides parameter file interface for the SolventDescriptor class ( SolventDescriptor ).

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Member Function Documentation

virtual bool BALL::SolventParameter::extractSection	(	Parameters &	parameters,
		const String &	section_name
	)			[virtual]

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 from BALL::ParameterSection.

SolventDescriptor& BALL::SolventParameter::getSolventDescriptor

(

)

Return a SolventDescriptor with the values from the parameter file.

Muteable version.