RxDock: rxdock::LigandFlexData Class Reference

Inheritance diagram for rxdock::LigandFlexData:

Public Member Functions
RBTDLL_EXPORT	LigandFlexData (DockingSite *pDockSite)

virtual void	Accept (FlexDataVisitor &v)

Public Member Functions inherited from rxdock::FlexData
Model *	GetModel () const

void	SetModel (Model *pModel)

DockingSite *	GetDockingSite () const

virtual void	Accept (FlexDataVisitor &)=0

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

Static Public Member Functions
static RBTDLL_EXPORT const std::string &	GetTransMode ()

static RBTDLL_EXPORT const std::string &	GetRotMode ()

Static Public Attributes
static const std::string &	_TRANS_STEP = "translational-step"

static const std::string &	_ROT_STEP = "rotational-step"

static const std::string &	_DIHEDRAL_STEP = "dihedral-step"

static const std::string &	_TRANS_MODE = "translational-mode"

static const std::string &	_ROT_MODE = "rotational-mode"

static const std::string &	_DIHEDRAL_MODE = "dihedral-mode"

static const std::string &	_MAX_TRANS = "maximum-translation"

static const std::string &	_MAX_ROT = "maximum-rotation"

static const std::string &	_MAX_DIHEDRAL = "maximum-dihedral"

Additional Inherited Members
Protected Member Functions inherited from rxdock::FlexData
	FlexData (DockingSite *pDockSite)

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

virtual void rxdock::LigandFlexData::Accept ( FlexDataVisitor & v )

inlinevirtual

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