RxDock: rxdock::LigandSiteMapper Class Reference

Inheritance diagram for rxdock::LigandSiteMapper:

Public Member Functions
	LigandSiteMapper (const std::string &strName="LIGAND_MAPPER")

virtual CavityList	operator() ()

Public Member Functions inherited from rxdock::SiteMapper
ModelPtr	GetReceptor () const

virtual CavityList	operator() ()=0

virtual void	Update (Subject *theChangedSubject)

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 = "LigandSiteMapper"

static const std::string	_REF_MOL = "reference-molecule"

static const std::string	_VOL_INCR

static const std::string	_SMALL_SPHERE = "small-sphere-radius"

static const std::string	_GRIDSTEP = "grid-step"

static const std::string	_RADIUS = "region-radius"

static const std::string	_MIN_VOLUME = "minimum-cavity-volume"

static const std::string	_MAX_CAVITIES = "maximum-cavities"

Static Public Attributes inherited from rxdock::SiteMapper
static const std::string	_CT = "SiteMapper"

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"

Additional Inherited Members
Protected Member Functions inherited from rxdock::SiteMapper
	SiteMapper (const std::string &strClass, const std::string &strName)

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)

Member Function Documentation

CavityList LigandSiteMapper::operator() ( )

virtual

const std::string LigandSiteMapper::_VOL_INCR

static

Initial value:

"excluded-volume-radius-increment"

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