PLMD::analysis::DataCollectionObject Class Reference

#include <DataCollectionObject.h>

Public Member Functions
double	getArgumentValue (const std::string &name) const
	Get the value of one of the arguments. More...
Vector	getAtomPosition (const AtomNumber &ind) const
	Return one of the atomic positions. More...
void	setArgument (const std::string &name, const double &value)
	Set the value of one of the arguments. More...
void	setAtomNumbersAndArgumentNames (const std::string &action_label, const std::vector< AtomNumber > &ind, const std::vector< std::string > &arg_names)
	Set the names and atom numbers. More...
void	setAtomPositions (const std::vector< Vector > &pos)
	Set the positions of all the atoms. More...
bool	transferDataToPDB (PDB &mypdb)
	Transfer the data inside the object to a PDB object. More...

Private Attributes
std::map< std::string, double >	args
	The map containing the arguments that we are storing. More...
std::vector< AtomNumber >	indices
	The list of atom numbers that are stored in the object. More...
std::string	myaction
	The label of the action in which the data is stored. More...
std::vector< Vector >	positions
	The list of atomic positions. More...

Friends
class	ReadAnalysisFrames

Member Function Documentation

getArgumentValue()

double PLMD::analysis::DataCollectionObject::getArgumentValue ( const std::string &  name ) const

inline

Get the value of one of the arguments.

getAtomPosition()

Vector PLMD::analysis::DataCollectionObject::getAtomPosition ( const AtomNumber &  ind ) const

inline

Return one of the atomic positions.

setArgument()

void PLMD::analysis::DataCollectionObject::setArgument	(	const std::string &	name,
		const double &	value
	)

Set the value of one of the arguments.

setAtomNumbersAndArgumentNames()

void PLMD::analysis::DataCollectionObject::setAtomNumbersAndArgumentNames	(	const std::string &	action_label,
		const std::vector< AtomNumber > &	ind,
		const std::vector< std::string > &	arg_names
	)

Set the names and atom numbers.

setAtomPositions()

void PLMD::analysis::DataCollectionObject::setAtomPositions

(

const std::vector< Vector > &

pos

)

Set the positions of all the atoms.

transferDataToPDB()

bool PLMD::analysis::DataCollectionObject::transferDataToPDB

(

PDB &

mypdb

)

Transfer the data inside the object to a PDB object.

Friends And Related Function Documentation

ReadAnalysisFrames

friend class ReadAnalysisFrames

friend

Member Data Documentation

args

std::map<std::string,double> PLMD::analysis::DataCollectionObject::args

private

The map containing the arguments that we are storing.

indices

std::vector<AtomNumber> PLMD::analysis::DataCollectionObject::indices

private

The list of atom numbers that are stored in the object.

myaction

std::string PLMD::analysis::DataCollectionObject::myaction

private

The label of the action in which the data is stored.

positions

std::vector<Vector> PLMD::analysis::DataCollectionObject::positions

private

The list of atomic positions.

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

• analysis/DataCollectionObject.h
• analysis/DataCollectionObject.cpp