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gmx::anonymous_namespace{densityfittingoptions.cpp} Namespace Reference

Functions

template<class ToType , class TransformWithFunctionType >
void densityfittingMdpTransformFromString (IKeyValueTreeTransformRules *rules, TransformWithFunctionType transformationFunction, const std::string &optionTag)
 Helper to declare mdp transform rules. More...
 
template<class OptionType >
void addDensityFittingMdpOutputValue (KeyValueTreeObjectBuilder *builder, const OptionType &option, const std::string &optionTag)
 Helper to declare mdp output. More...
 
void addDensityFittingMdpOutputValueComment (KeyValueTreeObjectBuilder *builder, const std::string &comment, const std::string &optionTag)
 Helper to declare mdp output comments. More...
 

Function Documentation

template<class OptionType >
void gmx::anonymous_namespace{densityfittingoptions.cpp}::addDensityFittingMdpOutputValue ( KeyValueTreeObjectBuilder *  builder,
const OptionType &  option,
const std::string &  optionTag 
)

Helper to declare mdp output.

Enforces uniform mdp options output strings that are always prepended with the correct string for the densityfitting mdp options and are consistent with the options name and transformation type.

Template Parameters
OptionTypethe type of the mdp option
Parameters
[in]builderthe KVT builder to generate the output
[in]optionthe mdp option
[in]optionTagstring tag that describes the mdp option, appended to the default string for the density guided simulation
void gmx::anonymous_namespace{densityfittingoptions.cpp}::addDensityFittingMdpOutputValueComment ( KeyValueTreeObjectBuilder *  builder,
const std::string &  comment,
const std::string &  optionTag 
)

Helper to declare mdp output comments.

Enforces uniform mdp options comment output strings that are always prepended with the correct string for the densityfitting mdp options and are consistent with the options name and transformation type.

Parameters
[in]builderthe KVT builder to generate the output
[in]commenton the mdp option
[in]optionTagstring tag that describes the mdp option
template<class ToType , class TransformWithFunctionType >
void gmx::anonymous_namespace{densityfittingoptions.cpp}::densityfittingMdpTransformFromString ( IKeyValueTreeTransformRules *  rules,
TransformWithFunctionType  transformationFunction,
const std::string &  optionTag 
)

Helper to declare mdp transform rules.

Enforces uniform mdp options that are always prepended with the correct string for the densityfitting mdp options.

Template Parameters
ToTypetype to be transformed to
TransformWithFunctionTypetype of transformation function to be used
Parameters
[in]rulesKVT transformation rules
[in]transformationFunctionthe function to transform the flat kvt tree
[in]optionTagstring tag that describes the mdp option, appended to the default string for the density guided simulation