loos::Weights Class Reference

Inheritance diagram for loos::Weights:

Public Member Functions
virtual void	addTraj (pTraj &traj)
	bind the provided pTraj to this instance of Weights
virtual const double	get ()
	Return the weight for the current frame of the trajectory.
virtual const double	get (const uint index)
	Return the weight for frame index of the trajectory.
virtual void	set (double newWeight)
	Bind a new weight to the current frame.
virtual void	set (double newWeight, const uint index)
	Bind a new weight to a particular frame.
virtual uint	size ()
	Return the number of weights.
virtual void	normalize ()
	Weights class to handle reweighting values computed from a trajectory.
virtual void	accumulate ()
	Keep track of total weight used.
virtual void	accumulate (const uint index)
virtual const double	totalWeight ()
	Return the totalWeight, as tracked using accumulate.
virtual const double	trajWeight ()
	Return the weight of the current trajectory.
virtual const double	operator() ()
	calling nomenclature wraps get
virtual const double	operator() (const uint index)
virtual void	operator() (double newWeight)
	binding nomenclature wraps set
virtual void	operator() (double newWeight, const uint index)
virtual void	operator() (std::vector< double > &newWeights)
	set all weights from passed vector
virtual std::vector< double >	weights ()
	Return the vector of weights.
	Weights (const std::vector< double > &weightsvec, pTraj &traj)
	Weights (const std::vector< double > &weightsvec)
	Weights (pTraj &traj)

Public Attributes
uint	current_frame

Protected Attributes
std::vector< double >	_weights
pTraj	_traj
uint	_num_weights
double	_total
double	_totalTraj

Constructor & Destructor Documentation

Weights()

loos::Weights::Weights ( pTraj & traj )

inline

mostly here for function-based weights instances, such as UniformWeight (constant function).

Member Function Documentation

accumulate() [1/2]

void loos::Weights::accumulate ( )

inlinevirtual

Keep track of total weight used.

Reimplemented in loos::UniformWeight.

accumulate() [2/2]

void loos::Weights::accumulate ( const uint index )

inlinevirtual

Reimplemented in loos::UniformWeight.

addTraj()

void loos::Weights::addTraj ( pTraj & traj )

virtual

bind the provided pTraj to this instance of Weights

Reimplemented in loos::WeightsFromFile.

get() [1/2]

const double loos::Weights::get ( )

inlinevirtual

Return the weight for the current frame of the trajectory.

Reimplemented in loos::UniformWeight.

get() [2/2]

const double loos::Weights::get ( const uint index )

inlinevirtual

Return the weight for frame index of the trajectory.

Reimplemented in loos::UniformWeight.

normalize()

void loos::Weights::normalize ( )

inlinevirtual

Weights class to handle reweighting values computed from a trajectory.

Normalize the weights so they sum to 1

Reimplemented in loos::UniformWeight.

operator()() [1/2]

const double loos::Weights::operator() ( )

inlinevirtual

calling nomenclature wraps get

Reimplemented in loos::UniformWeight.

operator()() [2/2]

const double loos::Weights::operator() ( const uint index )

inlinevirtual

Reimplemented in loos::UniformWeight.

weights()

std::vector< double > loos::Weights::weights ( )

inlinevirtual

Return the vector of weights.

Reimplemented in loos::UniformWeight.

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

• src/Weights.hpp
• src/Weights.cpp