Smart Monte Carlo version of molecular translation and rotation. More...

#include <move.h>

Inheritance diagram for Faunus::move::SmarterTranslateRotate:

Collaboration diagram for Faunus::move::SmarterTranslateRotate:

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

Public Member Functions inherited from Faunus::move::TranslateRotate
	TranslateRotate (Space &spc)

Public Member Functions inherited from Faunus::move::Move
void	from_json (const json &j)

void	to_json (json &j) const
	JSON report w. statistics, output etc.

void	move (Change &change)
	Perform move and modify given change object.

void	accept (Change &change)

void	reject (Change &change)

void	setRepeat (int repeat)

	Move (Space &spc, std::string_view name, std::string_view cite)

bool	isStochastic () const
	True if move should be called stochastically.

const std::string &	getName () const

Additional Inherited Members
Static Public Attributes inherited from Faunus::move::Move
static Random	slump
	Shared for all moves.

Protected Types inherited from Faunus::move::TranslateRotate
using	OptionalGroup = std::optional< std::reference_wrapper< Space::GroupType > >

Protected Member Functions inherited from Faunus::move::TranslateRotate
	TranslateRotate (Space &spc, std::string name, std::string cite)

Protected Attributes inherited from Faunus::move::TranslateRotate
int	molid = -1
	Molecule ID of the molecule(s) to move.

Protected Attributes inherited from Faunus::move::Move
const std::string	name
	Name of move.

Space &	spc
	Space to operate on.

int	repeat = 1

unsigned long	number_of_attempted_moves = 0
	Counter for total number of move attempts.

Detailed Description

Smart Monte Carlo version of molecular translation and rotation.

The important steps in modifying the original TranslateRotate is to replace:

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

Public Member Functions