Inheritance diagram for Faunus::ReactionCoordinate::AtomProperty:

Collaboration diagram for Faunus::ReactionCoordinate::AtomProperty:

Public Member Functions
	AtomProperty (const json &j, const Space &spc)

void	_to_json (json &j) const override
	json serialization

Public Member Functions inherited from Faunus::ReactionCoordinate::ReactionCoordinateBase
	ReactionCoordinateBase (const json &j)
	constructor reads resolution, min, max

double	operator() ()
	Calculates reaction coordinate.

bool	inRange (double coord) const
	Determines if coordinate is within [min,max].

Public Attributes
std::string	property

Public Attributes inherited from Faunus::ReactionCoordinate::ReactionCoordinateBase
double	resolution = 0.0
	Resolution used when binning (histograms etc.)

double	minimum_value = 0.0
	Minimum allowed value.

double	maximum_value = 0.0
	Maximum allowed value.

std::string	name
	Meaningful, short name. Don't use spaces or weird characters.

Protected Attributes
size_t	index

Point	dir = {0.0, 0.0, 0.0}

Protected Attributes inherited from Faunus::ReactionCoordinate::ReactionCoordinateBase
std::function< double()>	function = nullptr
	returns reaction coordinate Default 1.0; currently unused

Constructor & Destructor Documentation

◆ AtomProperty()

Faunus::ReactionCoordinate::AtomProperty::AtomProperty	(	const json &	j,
		const Space &	spc
	)

Warning: For the lambda capture, always capture "Space&" and not unerlying objects like particles or groups. This is because the memory location of the latter may be modified after the lambda cration, thus leading to undefined dereferencing.

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