votca::xtp::StaticRegion Class Reference

#include <staticregion.h>

Inheritance diagram for votca::xtp::StaticRegion:

Collaboration diagram for votca::xtp::StaticRegion:

Public Member Functions
	StaticRegion (Index id, Logger &log)
std::string	identify () const override
void	Initialize (const tools::Property &) override
bool	Converged () const override
double	Etotal () const override
void	Evaluate (std::vector< std::unique_ptr< Region > > &) override
void	Reset () override
Public Member Functions inherited from votca::xtp::MMRegion< StaticSegment >
	MMRegion (Index id, Logger &log)
void	WriteToCpt (CheckpointWriter &w) const override
void	ReadFromCpt (CheckpointReader &r) override
Index	size () const override
void	Initialize (const tools::Property &prop) override=0
bool	Converged () const override=0
void	Evaluate (std::vector< std::unique_ptr< Region > > &regions) override=0
std::string	identify () const override=0
const StaticSegment &	operator[] (Index index) const
StaticSegment &	operator[] (Index index)
std::vector< StaticSegment >::iterator	begin ()
std::vector< StaticSegment >::const_iterator	begin () const
std::vector< StaticSegment >::iterator	end ()
std::vector< StaticSegment >::const_iterator	end () const
double	Etotal () const override=0
void	Reset () override=0
double	charge () const override
void	WritePDB (csg::PDBWriter &writer) const override
void	push_back (const StaticSegment &seg)
Public Member Functions inherited from votca::xtp::Region
	Region (Index id, Logger &log)
virtual	~Region ()=default
virtual void	WriteToCpt (CheckpointWriter &w) const =0
virtual void	ReadFromCpt (CheckpointReader &r)=0
virtual void	Initialize (const tools::Property &prop)=0
virtual bool	Converged () const =0
virtual void	Evaluate (std::vector< std::unique_ptr< Region > > &regions)=0
virtual Index	size () const =0
virtual std::string	identify () const =0
virtual void	WritePDB (csg::PDBWriter &writer) const =0
virtual void	Reset ()=0
virtual double	charge () const =0
bool	Successful () const
std::string	ErrorMsg () const
void	AddResults (tools::Property &prop) const
Index	getId () const
virtual double	Etotal () const =0

Protected Member Functions
void	ResetRegion ()
void	AppendResult (tools::Property &) const override
double	InteractwithQMRegion (const QMRegion &) override
double	InteractwithPolarRegion (const PolarRegion &) override
double	InteractwithStaticRegion (const StaticRegion &) override
void	AppendResult (tools::Property &prop) const override=0
double	InteractwithQMRegion (const QMRegion &region) override=0
double	InteractwithPolarRegion (const PolarRegion &region) override=0
double	InteractwithStaticRegion (const StaticRegion &region) override=0
Protected Member Functions inherited from votca::xtp::Region
std::vector< double >	ApplyInfluenceOfOtherRegions (std::vector< std::unique_ptr< Region > > &regions)
virtual void	AppendResult (tools::Property &prop) const =0
virtual double	InteractwithQMRegion (const QMRegion &region)=0
virtual double	InteractwithPolarRegion (const PolarRegion &region)=0
virtual double	InteractwithStaticRegion (const StaticRegion &region)=0

Additional Inherited Members
Public Types inherited from votca::xtp::MMRegion< StaticSegment >
using	SegmentType = StaticSegment
using	iterator = typename std::vector< StaticSegment >::iterator
Protected Attributes inherited from votca::xtp::MMRegion< StaticSegment >
std::vector< StaticSegment >	segments_
Protected Attributes inherited from votca::xtp::Region
bool	info_ = true
std::string	errormsg_ = ""
Index	id_ = -1
Logger &	log_

Detailed Description

Definition at line 33 of file staticregion.h.

Constructor & Destructor Documentation

StaticRegion()

votca::xtp::StaticRegion::StaticRegion ( Index  id, Logger &  log  )

inline

Definition at line 35 of file staticregion.h.

Member Function Documentation

AppendResult()

void votca::xtp::StaticRegion::AppendResult ( tools::Property &  ) const

inlineoverrideprotectedvirtual

Implements votca::xtp::MMRegion< StaticSegment >.

Definition at line 50 of file staticregion.h.

Converged()

bool votca::xtp::StaticRegion::Converged ( ) const

inlineoverridevirtual

Implements votca::xtp::MMRegion< StaticSegment >.

Definition at line 41 of file staticregion.h.

Etotal()

double votca::xtp::StaticRegion::Etotal ( ) const

inlineoverridevirtual

Implements votca::xtp::MMRegion< StaticSegment >.

Definition at line 43 of file staticregion.h.

Evaluate()

void votca::xtp::StaticRegion::Evaluate ( std::vector< std::unique_ptr< Region > > &  )

inlineoverridevirtual

Implements votca::xtp::MMRegion< StaticSegment >.

Definition at line 45 of file staticregion.h.

identify()

std::string votca::xtp::StaticRegion::identify ( ) const

inlineoverridevirtual

Implements votca::xtp::MMRegion< StaticSegment >.

Definition at line 37 of file staticregion.h.

Initialize()

void votca::xtp::StaticRegion::Initialize ( const tools::Property &  )

inlineoverridevirtual

Implements votca::xtp::MMRegion< StaticSegment >.

Definition at line 39 of file staticregion.h.

InteractwithPolarRegion()

double votca::xtp::StaticRegion::InteractwithPolarRegion ( const PolarRegion &  )

inlineoverrideprotectedvirtual

Implements votca::xtp::MMRegion< StaticSegment >.

Definition at line 52 of file staticregion.h.

InteractwithQMRegion()

double votca::xtp::StaticRegion::InteractwithQMRegion ( const QMRegion &  )

inlineoverrideprotectedvirtual

Implements votca::xtp::MMRegion< StaticSegment >.

Definition at line 51 of file staticregion.h.

InteractwithStaticRegion()

double votca::xtp::StaticRegion::InteractwithStaticRegion ( const StaticRegion &  )

inlineoverrideprotectedvirtual

Implements votca::xtp::MMRegion< StaticSegment >.

Definition at line 53 of file staticregion.h.

Reset()

void votca::xtp::StaticRegion::Reset ( )

inlineoverridevirtual

Implements votca::xtp::MMRegion< StaticSegment >.

Definition at line 46 of file staticregion.h.

ResetRegion()

void votca::xtp::StaticRegion::ResetRegion ( )

inlineprotected

Definition at line 49 of file staticregion.h.

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

• xtp/include/votca/xtp/staticregion.h