RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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Public Types | Public Member Functions | Static Public Member Functions | Static Public Attributes | Protected Member Functions | Friends | List of all members
rxdock::ChromElement Class Referenceabstract
Inheritance diagram for rxdock::ChromElement:
rxdock::Chrom rxdock::ChromDihedralElement rxdock::ChromOccupancyElement rxdock::ChromPositionElement

Public Types

enum  eMode { FIXED = 0 , TETHERED = 1 , FREE = 2 }
 

Public Member Functions

virtual void Reset ()=0
 
virtual void Randomise ()=0
 
virtual void Mutate (double relStepSize)=0
 
virtual void SyncFromModel ()=0
 
virtual void SyncToModel ()=0
 
virtual ChromElementclone () const =0
 
virtual int GetLength () const =0
 
virtual int GetXOverLength () const =0
 
virtual void GetVector (std::vector< double > &v) const =0
 
virtual void GetVector (XOverList &v) const =0
 
virtual void SetVector (const std::vector< double > &v, int &i)=0
 
virtual void SetVector (const XOverList &v, int &i)=0
 
virtual void GetStepVector (std::vector< double > &v) const =0
 
virtual double CompareVector (const std::vector< double > &v, int &i) const =0
 
virtual void Add (ChromElement *pChromElement)
 
virtual void Print (std::ostream &s) const
 
RandGetRand () const
 
void CauchyMutate (double mean, double variance)
 
RBTDLL_EXPORT double Compare (const ChromElement &c) const
 
bool Equals (const ChromElement &c, double threshold) const
 
void SetVector (const std::vector< double > &v)
 
void SetVector (const XOverList &v)
 

Static Public Member Functions

static RBTDLL_EXPORT double & GetThreshold ()
 
static eMode StrToMode (const std::string &modeStr)
 
static std::string RBTDLL_EXPORT ModeToStr (eMode mode)
 

Static Public Attributes

static const std::string _CT = "ChromElement"
 
static double _THRESHOLD = 1E-4
 

Protected Member Functions

RBTDLL_EXPORT ChromElement (const ChromElement &c)
 
RBTDLL_EXPORT ChromElementoperator= (const ChromElement &c)
 
bool VectorOK (const std::vector< double > &v, unsigned int i) const
 
bool VectorOK (const XOverList &v, unsigned int i) const
 

Friends

RBTDLL_EXPORT friend bool operator== (const ChromElement &c1, const ChromElement &c2)
 
RBTDLL_EXPORT friend bool operator!= (const ChromElement &c1, const ChromElement &c2)
 
RBTDLL_EXPORT friend std::ostream & operator<< (std::ostream &s, const ChromElement &c)
 

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