RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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Public Member Functions | Static Public Attributes | Protected Member Functions | Friends | List of all members
rxdock::BaseSF Class Referenceabstract
Inheritance diagram for rxdock::BaseSF:
rxdock::BaseObject rxdock::ParamHandler rxdock::Observer rxdock::RequestHandler rxdock::BaseIdxSF rxdock::BaseInterSF rxdock::BaseIntraSF rxdock::DihedralSF rxdock::PolarSF rxdock::SFAgg rxdock::VdwSF rxdock::AromIdxSF rxdock::NmrSF rxdock::PMFIdxSF rxdock::PolarIdxSF rxdock::SAIdxSF rxdock::VdwIdxSF rxdock::AromIdxSF rxdock::CavityFillSF rxdock::CavityGridSF rxdock::ConstSF rxdock::DihedralTargetSF rxdock::NmrSF rxdock::PMFGridSF rxdock::PMFIdxSF rxdock::PharmaSF rxdock::PolarIdxSF rxdock::RotSF rxdock::SAIdxSF rxdock::SetupPMFSF rxdock::SetupPolarSF rxdock::SetupSASF rxdock::TetherSF rxdock::VdwGridSF rxdock::VdwIdxSF rxdock::DihedralIntraSF rxdock::PolarIntraSF rxdock::VdwIntraSF rxdock::DihedralIntraSF rxdock::DihedralTargetSF rxdock::PolarIdxSF rxdock::PolarIntraSF rxdock::VdwIdxSF rxdock::VdwIntraSF

Public Member Functions

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 BaseSFGetSF (unsigned int iSF) const
 
void Orphan ()
 
BaseSFGetParentSF () 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 ()
 
WorkSpaceGetWorkSpace () 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
 
- Public Member Functions inherited from rxdock::Observer
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 = "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

 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

class SFAgg
 
void to_json (json &j, const BaseSF &baseSF)
 
void from_json (const json &j, BaseSF &baseSF)
 

Member Function Documentation

◆ GetFullName()

std::string BaseSF::GetFullName ( ) const
virtual

Reimplemented from rxdock::BaseObject.

◆ ParameterUpdated()

void BaseSF::ParameterUpdated ( const std::string &  strName)
protectedvirtual

Reimplemented from rxdock::BaseObject.

◆ RawScore()

virtual double rxdock::BaseSF::RawScore ( ) const
protectedpure virtual

Implemented in rxdock::PMFIdxSF.


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