Scine::MMParametrization::ReparametrizationHelper Class Reference

This class provides functionalities for the re-parametrization of a system, which has only slightly been modified. The most of the parameters can be re-used without new reference data generation or parameter optimization. More...

#include <ReparametrizationHelper.h>

Collaboration diagram for Scine::MMParametrization::ReparametrizationHelper:

Public Member Functions
	ReparametrizationHelper (ParametrizationData &data, Core::Log &log)
	Constructor.
void	parseProvidedParameters (const std::string &parameterFile)
	Parses already provided parameters and stores them into the ParametrizationData object. More...
void	manipulateTopology ()
	Removes all of the topological elements from the topology in the ParametrizationData object, of which the parameters are already covered by the provided ones.
bool	isRelevantFragment (int fragmentIndex) const
	Returns whether reference data has to be calculated for a fragment with the given fragment index in the case of a model re-parametrization. More...

Detailed Description

This class provides functionalities for the re-parametrization of a system, which has only slightly been modified. The most of the parameters can be re-used without new reference data generation or parameter optimization.

Member Function Documentation

bool Scine::MMParametrization::ReparametrizationHelper::isRelevantFragment

(

int

fragmentIndex

)

const

Returns whether reference data has to be calculated for a fragment with the given fragment index in the case of a model re-parametrization.

Parameters

fragmentIndex

Index of a fragment.

void Scine::MMParametrization::ReparametrizationHelper::parseProvidedParameters

(

const std::string &

parameterFile

)

Parses already provided parameters and stores them into the ParametrizationData object.

Parameters

parameterFile

The path to the parameter file of the provided parameters.

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

• src/Swoose/Swoose/MMParametrization/ParametrizationUtils/ReparametrizationHelper.h
• src/Swoose/Swoose/MMParametrization/ParametrizationUtils/ReparametrizationHelper.cpp