PLMD::mapping::PathProjectionCalculator Class Reference

#include <PathProjectionCalculator.h>

Public Member Functions
	PathProjectionCalculator (Action *act)
void	getDisplaceVector (const unsigned &ifrom, const unsigned &ito, std::vector< double > &displace)
	Get the displacement between two reference frames. More...
unsigned	getNumberOfFrames () const
	Get the number of frames in the path. More...
void	getReferenceConfiguration (const unsigned &iframe, std::vector< double > &refpos) const
	Transfer data in and out of the reference configurations (used for reparamerization) More...
void	setReferenceConfiguration (const unsigned &iframe, std::vector< double > &refpos)
void	updateDepedentRMSDObjects ()

Static Public Member Functions
static void	registerKeywords (Keywords &keys)

Private Member Functions
void	computeVectorBetweenFrames (const unsigned &ifrom, const unsigned &ito)
	Compute the vector connecting two of the frames in the path. More...

Private Attributes
std::vector< double >	data
PlumedMain	metric
Value *	mypath_obj
std::vector< Value * >	refargs
std::vector< colvar::RMSDVector * >	rmsd_objects

Constructor & Destructor Documentation

PathProjectionCalculator()

PLMD::mapping::PathProjectionCalculator::PathProjectionCalculator

(

Action *

act

)

Member Function Documentation

computeVectorBetweenFrames()

void PLMD::mapping::PathProjectionCalculator::computeVectorBetweenFrames ( const unsigned &  ifrom, const unsigned &  ito  )

private

Compute the vector connecting two of the frames in the path.

getDisplaceVector()

void PLMD::mapping::PathProjectionCalculator::getDisplaceVector	(	const unsigned &	ifrom,
		const unsigned &	ito,
		std::vector< double > &	displace
	)

Get the displacement between two reference frames.

getNumberOfFrames()

unsigned PLMD::mapping::PathProjectionCalculator::getNumberOfFrames

(

)

const

Get the number of frames in the path.

getReferenceConfiguration()

void PLMD::mapping::PathProjectionCalculator::getReferenceConfiguration	(	const unsigned &	iframe,
		std::vector< double > &	refpos
	)		const

Transfer data in and out of the reference configurations (used for reparamerization)

registerKeywords()

void PLMD::mapping::PathProjectionCalculator::registerKeywords ( Keywords &  keys )

static

setReferenceConfiguration()

void PLMD::mapping::PathProjectionCalculator::setReferenceConfiguration	(	const unsigned &	iframe,
		std::vector< double > &	refpos
	)

updateDepedentRMSDObjects()

void PLMD::mapping::PathProjectionCalculator::updateDepedentRMSDObjects

(

)

Member Data Documentation

data

std::vector<double> PLMD::mapping::PathProjectionCalculator::data

private

metric

PlumedMain PLMD::mapping::PathProjectionCalculator::metric

private

mypath_obj

Value* PLMD::mapping::PathProjectionCalculator::mypath_obj

private

refargs

std::vector<Value*> PLMD::mapping::PathProjectionCalculator::refargs

private

rmsd_objects

std::vector<colvar::RMSDVector*> PLMD::mapping::PathProjectionCalculator::rmsd_objects

private

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

• mapping/PathProjectionCalculator.h
• mapping/PathProjectionCalculator.cpp