PLMD::AtomDistribution Struct Reference

tested in regtest/tools/rt-make-AtomicDistribution Acts as a template for any distribution More...

#include <AtomDistribution.h>

Inheritance diagram for PLMD::AtomDistribution:

Public Member Functions
virtual	~AtomDistribution () noexcept
virtual void	frame (std::vector< Vector > &posToUpdate, std::vector< double > &box, unsigned, Random &)=0
	Update the input vectors with the position and the box of the frame.
virtual bool	overrideNat (unsigned &)
	If necessary changes the number of atoms, returns true if that number has been changed.

Static Public Member Functions
static std::unique_ptr< AtomDistribution >	getAtomDistribution (std::string_view atomicDistr)

Detailed Description

tested in regtest/tools/rt-make-AtomicDistribution Acts as a template for any distribution

Constructor & Destructor Documentation

~AtomDistribution()

virtual PLMD::AtomDistribution::~AtomDistribution ( )

inlinevirtualnoexcept

Member Function Documentation

frame()

virtual void PLMD::AtomDistribution::frame ( std::vector< Vector > & posToUpdate, std::vector< double > & box, unsigned , Random &  )

pure virtual

Update the input vectors with the position and the box of the frame.

Implemented in PLMD::fileTraj, PLMD::repliedTrajectory, PLMD::theLine, PLMD::tiledSimpleCubic, PLMD::twoGlobs, PLMD::uniformCube, and PLMD::uniformSphere.

getAtomDistribution()

std::unique_ptr< AtomDistribution > PLMD::AtomDistribution::getAtomDistribution ( std::string_view atomicDistr )

static

overrideNat()

virtual bool PLMD::AtomDistribution::overrideNat ( unsigned & )

inlinevirtual

If necessary changes the number of atoms, returns true if that number has been changed.

Reimplemented in PLMD::fileTraj, and PLMD::repliedTrajectory.

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

• tools/AtomDistribution.h
• tools/AtomDistribution.cpp