MaxCheck Class Reference

Inheritance diagram for MaxCheck:

Public Member Functions
void	readXML (XMLfileUnits &xmlconfig) override
	Read in XML configuration for MaxCheck and all its included objects. More...
void	init (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) override
	Method init will be called at the begin of the simulation. More...
void	beforeEventNewTimestep (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep) override
	Method will be called first thing in a new timestep. More...
void	siteWiseForces (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep) override
	Method siteWiseForces will be called before forcefields have been applied alterations to sitewise forces and fullMolecule forces can be made here. More...
void	afterForces (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep) override
	Method afterForces will be called after forcefields have been applied. More...
void	endStep (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain, unsigned long simstep) override
	Method endStep will be called at the end of each time step. More...
void	finish (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, Domain *domain) override
	Method finish will be called at the end of the simulation. More...
std::string	getPluginName () override
	return the name of the plugin More...
Public Member Functions inherited from PluginBase
	PluginBase ()
	Subclasses should use their constructur to pass parameters (e.g. filenames)
virtual void	beforeForces (ParticleContainer *particleContainer, DomainDecompBase *domainDecomp, unsigned long simstep)
	Method beforeForces will be called before forcefields have been applied no alterations w.r.t. Forces shall be made here. More...
virtual void	registerCallbacks (std::map< std::string, FunctionWrapper > &callbackMap)
virtual void	accessAllCallbacks (const std::map< std::string, FunctionWrapper > &callbackMap)

Static Public Member Functions
static PluginBase *	createInstance ()

Member Function Documentation

afterForces()

void MaxCheck::afterForces ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, unsigned long  simstep  )

overridevirtual

Method afterForces will be called after forcefields have been applied.

make pure Virtual ?

Reimplemented from PluginBase.

beforeEventNewTimestep()

void MaxCheck::beforeEventNewTimestep ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, unsigned long  simstep  )

overridevirtual

Method will be called first thing in a new timestep.

Reimplemented from PluginBase.

endStep()

void MaxCheck::endStep ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, Domain *  domain, unsigned long  simstep  )

inlineoverridevirtual

Method endStep will be called at the end of each time step.

This method will be called every time step passing the simstep as an additional parameter. It can be used e.g. to write per time step data to a file or perform additional computations.

Parameters

particleContainer	particle container storing the (local) molecules
domainDecomp	domain decomposition in use
domain

Implements PluginBase.

finish()

void MaxCheck::finish ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, Domain *  domain  )

inlineoverridevirtual

Method finish will be called at the end of the simulation.

This method will be called once at the end of the simulation. It can be used e.g. to closing output files or writing final statistics.

Parameters

particleContainer	particle container storing the (local) molecules
domainDecomp	domain decomposition in use
domain

Implements PluginBase.

getPluginName()

std::string MaxCheck::getPluginName ( )

inlineoverridevirtual

return the name of the plugin

Implements PluginBase.

init()

void MaxCheck::init ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, Domain *  domain  )

overridevirtual

Method init will be called at the begin of the simulation.

This method will be called once at the begin of the simulation just right before the main time step loop. It can be used e.g. to open output files or initialize statistics.

Parameters

particleContainer	particle container storing the (local) molecules
domainDecomp	domain decomposition in use
domain

Implements PluginBase.

readXML()

void MaxCheck::readXML ( XMLfileUnits &  xmlconfig )

overridevirtual

Read in XML configuration for MaxCheck and all its included objects.

The following XML object structure is handled by this method:

<plugin name="MaxCheck">
   <control>
       <start>INT</start>           <!-- start time step -->
       <frequency>INT</frequency>   <!-- frequency of checking -->
       <stop>INT</stop>             <!-- stop time step -->
   </control>
   <range>
       <inclusive>BOOL<inclusive>  <!-- enable checking inside range (default): 1 | outside range: 0 -->
       <xmin>FLOAT</xmin> <xmax>FLOAT</xmax>  <!-- range x-axis -->
       <ymin>FLOAT</ymin> <ymax>FLOAT</ymax>  <!-- range y-axis -->
       <zmin>FLOAT</zmin> <zmax>FLOAT</zmax>  <!-- range z-axis -->
   </range>
   <targets>
       <target cid="INT" method="INT">   <!-- cid: component id of target particles
                                         <!-- method: handling particles failing the check, 1:limit to max value | 2:limit to max value if force is too high (overlaps) | 3:delete particle -->
           <Fmax>FLOAT</Fmax>            <! force limit -->
           <vmax>FLOAT</vmax>            <! velocity limit -->
       </target>
   </targets>
</plugin

Implements PluginBase.

siteWiseForces()

void MaxCheck::siteWiseForces ( ParticleContainer *  particleContainer, DomainDecompBase *  domainDecomp, unsigned long  simstep  )

inlineoverridevirtual

Method siteWiseForces will be called before forcefields have been applied alterations to sitewise forces and fullMolecule forces can be made here.

Reimplemented from PluginBase.

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

• src/plugins/MaxCheck.h
• src/plugins/MaxCheck.cpp