TpsTrialMove Class Reference
[Core API, TPS Trial Moves]

A trial walk in trajectory space

The main idea here is that we can build up various path sampling schemes by adding trial moves to our algorithm class. At the present, some algorithms cannot be correctly built up in this way, such as the FFS family of algorithms. More...

#include <TpsTrialMove.h>

Inheritance diagram for TpsTrialMove:

List of all members.

Public Member Functions
	TpsTrialMove ()
virtual	~TpsTrialMove ()
void	attempt (TpsAlgorithmTPS &)
void	setAttemptsPerCycle (double n)
double	getAttemptsPerCycle ()
int	getID ()
double	getAcceptanceProbability ()
virtual double	getStepSize ()
virtual void	setStepSize (double)
virtual void	callbackOnAccepted ()
	Called every time the trial move is attempted. You can override the callback to do something special.
virtual void	callbackOnRejected ()
	Called every time the trial move is rejected. You can override the callback to do something special.
virtual void	callbackOnAttempt ()
	Called every time the trial move is attempted. You can override the callback to do something special.
void	optimizeStepSize (bool, double=0.5, int=10)
Protected Member Functions
virtual void	updateStepSize ()
virtual bool	doMove (TpsAlgorithmTPS &)
Protected Attributes
int	_n_attemps
int	_n_accepts
int	_id
double	_n_attempts_per_cycle
bool	_optimize
double	_target_acceptance_probability
int	_optimize_every
Static Protected Attributes
static int	_global_id = 0

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Detailed Description

A trial walk in trajectory space

The main idea here is that we can build up various path sampling schemes by adding trial moves to our algorithm class. At the present, some algorithms cannot be correctly built up in this way, such as the FFS family of algorithms.

Example:

TpsAlgorithmTPS tps(tpe, rng, order_param, initializer);
TpsTrialMoveShot shot;
TpsTrialMoveShift shift(min, max);
tps.addTrialMove(shot);
tps.addTrialMove(shift);

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Constructor & Destructor Documentation

TpsTrialMove::TpsTrialMove

(

)

TpsTrialMove::~TpsTrialMove

(

)

[virtual]

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Member Function Documentation

void TpsTrialMove::attempt

(

TpsAlgorithmTPS &

ctrl

)

void TpsTrialMove::callbackOnAccepted

(

)

[virtual]

Called every time the trial move is attempted. You can override the callback to do something special.

void TpsTrialMove::callbackOnAttempt

(

)

[virtual]

Called every time the trial move is attempted. You can override the callback to do something special.

void TpsTrialMove::callbackOnRejected

(

)

[virtual]

Called every time the trial move is rejected. You can override the callback to do something special.

bool TpsTrialMove::doMove

(

TpsAlgorithmTPS &

)

[protected, virtual]

Reimplemented in TpsTrialMovePathReversal, TpsTrialMoveShift, TpsTrialMoveShiftBackward, TpsTrialMoveShiftForward, TpsTrialMoveShot, TpsTrialMoveShotAimless, TpsTrialMoveShotBackward, TpsTrialMoveShotFlexible, TpsTrialMoveShotFlexibleV2, and TpsTrialMoveShotForward.

double TpsTrialMove::getAcceptanceProbability

(

)

double TpsTrialMove::getAttemptsPerCycle

(

)

int TpsTrialMove::getID

(

)

double TpsTrialMove::getStepSize

(

)

[virtual]

Reimplemented in TpsTrialMoveShift, and TpsTrialMoveShot.

void TpsTrialMove::optimizeStepSize	(	bool	do_optimize,
		double	target = 0.5,
		int	every = 10
	)

void TpsTrialMove::setAttemptsPerCycle

(

double

n

)

void TpsTrialMove::setStepSize

(

double

)

[virtual]

Reimplemented in TpsTrialMoveShift, and TpsTrialMoveShot.

void TpsTrialMove::updateStepSize

(

)

[protected, virtual]

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Member Data Documentation

int TpsTrialMove::_global_id = 0 [static, protected]

int TpsTrialMove::_id [protected]

int TpsTrialMove::_n_accepts [protected]

int TpsTrialMove::_n_attemps [protected]

double TpsTrialMove::_n_attempts_per_cycle [protected]

bool TpsTrialMove::_optimize [protected]

int TpsTrialMove::_optimize_every [protected]

double TpsTrialMove::_target_acceptance_probability [protected]

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

• /Users/askeys/Codes/tps/CXX/TpsTrialMove.h
• /Users/askeys/Codes/tps/CXX/TpsTrialMove.cpp