Scine::MolecularMechanics::GaffParameterParser Class Reference

This class reads in the GAFF parameters from the parameter file. The parsing relies on Qt and the conversion to doubles works also when numbers in the current locale are of the form "x,xxx". More...

#include <GaffParameterParser.h>

Collaboration diagram for Scine::MolecularMechanics::GaffParameterParser:

Public Member Functions
	GaffParameterParser (std::string filename)
	Constructor from filename of parameter file.
std::unique_ptr< GaffParameters >	parseParameters ()
	Parse the parameters.

Detailed Description

This class reads in the GAFF parameters from the parameter file. The parsing relies on Qt and the conversion to doubles works also when numbers in the current locale are of the form "x,xxx".

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

• src/Swoose/Swoose/MolecularMechanics/GAFF/GaffParameterParser.h
• src/Swoose/Swoose/MolecularMechanics/GAFF/GaffParameterParser.cpp