rxdock::CavityGridSF Class Reference

Inheritance diagram for rxdock::CavityGridSF:

Classes
class	HeavyAtomFactory

Public Member Functions
void	to_json (json &j, const HeavyAtomFactory &heavyAtomFactory)
void	from_json (const json &j, HeavyAtomFactory &heavyAtomFactory)
	CavityGridSF (const std::string &strName="cavity")
Public Member Functions inherited from rxdock::BaseInterSF
ModelPtr	GetReceptor () const
ModelPtr	GetLigand () const
ModelList	GetSolvent () const
virtual void	Update (Subject *theChangedSubject)
Public Member Functions inherited from rxdock::BaseSF
std::string	GetFullName () const
double	GetWeight () const
void	SetWeight (double)
double	GetRange () const
RBTDLL_EXPORT void	SetRange (double)
RBTDLL_EXPORT double	Score () const
virtual void	ScoreMap (StringVariantMap &scoreMap) const
virtual void	Add (BaseSF *)
virtual void	Remove (BaseSF *)
virtual bool	isAgg () const
virtual unsigned int	GetNumSF () const
virtual BaseSF *	GetSF (unsigned int iSF) const
void	Orphan ()
BaseSF *	GetParentSF () const
Public Member Functions inherited from rxdock::BaseObject
std::string	GetClass () const
std::string	GetName () const
void	SetName (const std::string &)
virtual std::string	GetFullName () const
void	Enable ()
void	Disable ()
bool	isEnabled () const
virtual void	Register (WorkSpace *)
virtual void	Unregister ()
WorkSpace *	GetWorkSpace () const
virtual void	Deleted (Subject *theDeletedSubject)
virtual void	HandleRequest (RequestPtr spRequest)
virtual void	Print (std::ostream &s) const
Public Member Functions inherited from rxdock::ParamHandler
unsigned int	GetNumParameters () const
Variant	GetParameter (const std::string &strName) const
bool	isParameterValid (const std::string &strName) const
std::vector< std::string >	GetParameterNames () const
StringVariantMap	GetParameters () const
RBTDLL_EXPORT void	SetParameter (const std::string &strName, const Variant &vValue)
virtual void	Print (std::ostream &s) const
virtual void	Update (Subject *theChangedSubject)=0
virtual void	Deleted (Subject *theDeletedSubject)=0
virtual void	HandleRequest (RequestPtr spRequest)

Static Public Attributes
static const std::string	_CT = "CavityGridSF"
static const std::string	_RMAX = "rmax"
static const std::string	_QUADRATIC = "quadratic"
Static Public Attributes inherited from rxdock::BaseInterSF
static const std::string	_CT = "BaseInterSF"
Static Public Attributes inherited from rxdock::BaseSF
static const std::string	_CT = "BaseSF"
static const std::string	_WEIGHT = "weight"
static const std::string	_RANGE = "range"
static const std::string	_SYSTEM_SF = "rxdock.score.system"
static const std::string	_INTRA_SF = "rxdock.score.intra"
Static Public Attributes inherited from rxdock::BaseObject
static const std::string	_CT = "BaseObject"
static const std::string	_CLASS = "CLASS"
static const std::string	_NAME = "NAME"
static const std::string	_ENABLED = "ENABLED"

Protected Member Functions
virtual void	SetupReceptor ()
virtual void	SetupLigand ()
virtual void	SetupSolvent ()
virtual void	SetupScore ()
virtual double	RawScore () const
void	ParameterUpdated (const std::string &strName)
virtual void	SetupReceptor ()=0
virtual void	SetupLigand ()=0
virtual void	SetupSolvent ()
virtual void	SetupScore ()=0
Protected Member Functions inherited from rxdock::BaseSF
	BaseSF (const std::string &strClass, const std::string &strName)
virtual double	RawScore () const =0
void	ParameterUpdated (const std::string &strName)
void	AddToParentMapEntry (StringVariantMap &scoreMap, double rs) const
Protected Member Functions inherited from rxdock::BaseObject
	BaseObject (const std::string &strClass, const std::string &strName)
void	ParameterUpdated (const std::string &strName)
Protected Member Functions inherited from rxdock::ParamHandler
void	AddParameter (const std::string &strName, const Variant &vValue)
void	DeleteParameter (const std::string &strName)
void	ClearParameters ()
virtual void	ParameterUpdated (const std::string &strName)

Friends
void	to_json (json &j, const CavityGridSF &cavGridSF)
void	from_json (const json &j, CavityGridSF &cavGridSF)

Member Function Documentation

ParameterUpdated()

void CavityGridSF::ParameterUpdated ( const std::string &  strName )

protectedvirtual

Reimplemented from rxdock::BaseSF.

RawScore()

double CavityGridSF::RawScore ( void  ) const

protectedvirtual

Implements rxdock::BaseSF.

SetupLigand()

void CavityGridSF::SetupLigand ( )

protectedvirtual

Implements rxdock::BaseInterSF.

SetupReceptor()

void CavityGridSF::SetupReceptor ( )

protectedvirtual

Implements rxdock::BaseInterSF.

SetupScore()

void CavityGridSF::SetupScore ( )

protectedvirtual

Implements rxdock::BaseInterSF.

SetupSolvent()

void CavityGridSF::SetupSolvent ( )

protectedvirtual

Reimplemented from rxdock::BaseInterSF.

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

• CavityGridSF.h
• CavityGridSF.cxx