Base class for all Profile outputs used by KartesianProfile. More...

#include <ProfileBase.h>

Inheritance diagram for ProfileBase:

Public Member Functions
virtual void	init (SamplingInformation &samplingInformation)
	Init function is given a pointer to the KartesianProfile object handling this profile. Same for all profiles. More...

virtual void	record (Molecule &mol, unsigned long uID)=0
	The recording step defines what kind of data needs to be recorded for a single molecule with a corresponding uID. More...

virtual void	collectAppend (DomainDecompBase *domainDecomp, unsigned long uID)=0
	Append all necessary communication per bin to the DomainDecomposition. Append from e.g. _localProfile. More...

virtual void	collectRetrieve (DomainDecompBase *domainDecomp, unsigned long uID)=0
	Get global values after AllReduceSum per bin. Write to e.g. _globalProfile. More...

virtual void	output (string prefix, long unsigned accumulatedDatasets)=0
	Whatever is necessary to output for this profile. More...

virtual void	reset (unsigned long uID)=0
	Used to reset all array contents for a specific uID in order to start the next recording timeframe. More...

virtual int	comms ()=0
	1D profiles like a number density profile should return 1 here. 3D profiles that have 3 entries per bin that need to be communicated would need to return 3. Adjust as needed. Same number as commAppends in collectAppend. More...

Protected Member Functions
virtual void	writeDataEntry (unsigned long uID, ofstream &outfile) const =0
	Write Single Data Entry for Matrix with given uID to outfile. More...

void	writeMatrix (ofstream &outfile)
	Matrix writing routine to avoid code duplication. More...

void	writeKartMatrix (ofstream &outfile)

void	writeSimpleMatrix (ofstream &outfile)
	STUB for simple Matrix output without headers. More...

void	writeCylMatrix (ofstream &outfile)
	cylinder Matrix output More...

Protected Attributes
string	_profilePrefix

SamplingInformation	_samplInfo

long	_accumulatedDatasets = -1

Detailed Description

Base class for all Profile outputs used by KartesianProfile.

The major steps for all profiles are recording the profile data, communication, writing the output file and resetting everything for the next recording period. Each of these steps has a function associated with it that needs to be implemented by all profiles inheriting this class to be able to work with KartesianProfile. KartesianProfile also needs to know the number of items added to the communication per Molecule. So a DensityProfile should return 1 via Profile::comms(). A Velocity3dProfile should return 3.
A very simple example of how to use this class is the DensityProfile.

Member Function Documentation

◆ collectAppend()

virtual void ProfileBase::collectAppend	(	DomainDecompBase *	domainDecomp,
		unsigned long	uID
	)

pure virtual

Append all necessary communication per bin to the DomainDecomposition. Append from e.g. _localProfile.

Parameters

domainDecomp	DomainDecomposition handling the communication.
uID	uID of molecule in sampling grid, needed to put data in right spot in the profile arrays.

Implemented in DensityProfile, DOFProfile, KineticProfile, TemperatureProfile, Velocity3dProfile, VelocityAbsProfile, Virial2DProfile, and VirialProfile.

◆ collectRetrieve()

virtual void ProfileBase::collectRetrieve	(	DomainDecompBase *	domainDecomp,
		unsigned long	uID
	)

pure virtual

Get global values after AllReduceSum per bin. Write to e.g. _globalProfile.

Parameters

domainDecomp	DomainDecomposition handling the communication.
uID	uID of molecule in sampling grid, needed to put data in right spot in the profile arrays.

Implemented in DensityProfile, DOFProfile, KineticProfile, TemperatureProfile, Velocity3dProfile, VelocityAbsProfile, Virial2DProfile, and VirialProfile.

◆ comms()

virtual int ProfileBase::comms ( )

pure virtual

1D profiles like a number density profile should return 1 here. 3D profiles that have 3 entries per bin that need to be communicated would need to return 3. Adjust as needed. Same number as commAppends in collectAppend.

Returns: Number of nedded communications per bin so the communicator can be setup correctly.

Implemented in DensityProfile, DOFProfile, KineticProfile, TemperatureProfile, Velocity3dProfile, VelocityAbsProfile, Virial2DProfile, and VirialProfile.

◆ init()

virtual void ProfileBase::init ( SamplingInformation & samplingInformation )

inlinevirtual

Init function is given a pointer to the KartesianProfile object handling this profile. Same for all profiles.

Parameters

kartProf Pointer to KartesianProfile. Grants access to necessary global params.

◆ output()

virtual void ProfileBase::output	(	string	prefix,
		long unsigned	accumulatedDatasets
	)

pure virtual

Whatever is necessary to output for this profile.

This function varies wildly between profiles. The Profile should output to its desired format here and handle all file IO for one profile writing step.

Parameters

prefix File prefix including the global _outputPrefix for all profiles and the current timestep. Should be appended by some specific file ending for this specific profile.

Implemented in DensityProfile, DOFProfile, KineticProfile, TemperatureProfile, Velocity3dProfile, VelocityAbsProfile, Virial2DProfile, and VirialProfile.

◆ record()

virtual void ProfileBase::record	(	Molecule &	mol,
		unsigned long	uID
	)

pure virtual

The recording step defines what kind of data needs to be recorded for a single molecule with a corresponding uID.

Parameters

mol	Reference to Molecule, needed to extract info such as velocity or Virial.
uID	uID of molecule in sampling grid, needed to put data in right spot in the profile arrays.

Implemented in DensityProfile, DOFProfile, KineticProfile, TemperatureProfile, Velocity3dProfile, VelocityAbsProfile, Virial2DProfile, and VirialProfile.

◆ reset()

virtual void ProfileBase::reset ( unsigned long uID )

pure virtual

Used to reset all array contents for a specific uID in order to start the next recording timeframe.

Parameters

uID	uID of molecule in sampling grid, needed to put data in right spot in the profile arrays.

Implemented in DensityProfile, DOFProfile, KineticProfile, TemperatureProfile, Velocity3dProfile, VelocityAbsProfile, Virial2DProfile, and VirialProfile.

◆ writeCylMatrix()

void ProfileBase::writeCylMatrix ( ofstream & outfile )

protected

cylinder Matrix output

Parameters

outfile opened filestream from Profile

◆ writeDataEntry()

virtual void ProfileBase::writeDataEntry	(	unsigned long	uID,
		ofstream &	outfile
	)		const

protectedpure virtual

Write Single Data Entry for Matrix with given uID to outfile.

Parameters

uID	unique ID of bin
outfile	outfile to write to

◆ writeMatrix()

void ProfileBase::writeMatrix ( ofstream & outfile )

protected

Matrix writing routine to avoid code duplication.

Parameters

outfile opened filestream from Profile

◆ writeSimpleMatrix()

void ProfileBase::writeSimpleMatrix ( ofstream & outfile )

protected

STUB for simple Matrix output without headers.

Parameters

outfile opened filestream from Profile

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

src/plugins/profiles/ProfileBase.h
src/plugins/profiles/ProfileBase.cpp

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Member Function Documentation

◆ collectAppend()

◆ collectRetrieve()

◆ comms()

◆ init()

◆ output()

◆ record()

◆ reset()

◆ writeCylMatrix()

◆ writeDataEntry()

◆ writeMatrix()

◆ writeSimpleMatrix()