rxdock::SimplexTransform Class Reference

Inheritance diagram for rxdock::SimplexTransform:

Public Member Functions
RBTDLL_EXPORT	SimplexTransform (const std::string &strName="SIMPLEX")
Public Member Functions inherited from rxdock::BaseBiMolTransform
ModelPtr	GetReceptor () const
ModelPtr	GetLigand () const
ModelList	GetSolvent () const
virtual void	Update (Subject *theChangedSubject)
Public Member Functions inherited from rxdock::BaseTransform
std::string	GetFullName () const
void	Go ()
virtual void	Add (BaseTransform *)
virtual void	Remove (BaseTransform *)
virtual bool	isAgg () const
virtual unsigned int	GetNumTransforms () const
virtual BaseTransform *	GetTransform (unsigned int) const
void	Orphan ()
BaseTransform *	GetParentTransform () const
void	AddSFRequest (RequestPtr)
void	ClearSFRequests ()
void	SendSFRequests ()
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 Member Functions
static RBTDLL_EXPORT const std::string &	GetMaxCalls ()
static RBTDLL_EXPORT const std::string &	GetNCycles ()
static RBTDLL_EXPORT const std::string &	GetStepSize ()

Static Public Attributes
static const std::string	_CT = "SimplexTransform"
static const std::string	_MAX_CALLS = "maximum-number-of-calls"
static const std::string	_NCYCLES = "number-of-cycles"
static const std::string	_STOPPING_STEP_LENGTH
static const std::string	_PARTITION_DIST = "partition-distance"
static const std::string	_STEP_SIZE = "step-size"
static const std::string	_CONVERGENCE = "convergence"
Static Public Attributes inherited from rxdock::BaseBiMolTransform
static const std::string	_CT = "BaseBiMolTransform"
Static Public Attributes inherited from rxdock::BaseTransform
static const std::string	_CT = "BaseTransform"
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	SetupTransform ()
virtual void	SetupReceptor ()
virtual void	SetupLigand ()
virtual void	SetupSolvent ()
virtual void	Execute ()
Protected Member Functions inherited from rxdock::BaseBiMolTransform
	BaseBiMolTransform (const std::string &strClass, const std::string &strName)
virtual void	SetupReceptor ()=0
virtual void	SetupLigand ()=0
virtual void	SetupSolvent ()
virtual void	SetupTransform ()=0
Protected Member Functions inherited from rxdock::BaseTransform
	BaseTransform (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

Execute()

void SimplexTransform::Execute ( )

protectedvirtual

Implements rxdock::BaseTransform.

SetupLigand()

void SimplexTransform::SetupLigand ( )

protectedvirtual

Implements rxdock::BaseBiMolTransform.

SetupReceptor()

void SimplexTransform::SetupReceptor ( )

protectedvirtual

Implements rxdock::BaseBiMolTransform.

SetupSolvent()

void SimplexTransform::SetupSolvent ( )

protectedvirtual

Reimplemented from rxdock::BaseBiMolTransform.

SetupTransform()

void SimplexTransform::SetupTransform ( )

protectedvirtual

Implements rxdock::BaseBiMolTransform.

Member Data Documentation

_STOPPING_STEP_LENGTH

const std::string SimplexTransform::_STOPPING_STEP_LENGTH

static

Initial value:

=
    "stopping-step-length"

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

• SimplexTransform.h
• SimplexTransform.cxx