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 | Friends | List of all members
rxdock::ChromPositionRefData Class Reference

Public Member Functions

 ChromPositionRefData (const Model *pModel, const DockingSite *pDockSite, double transStepSize, double rotStepSize, ChromElement::eMode transMode=ChromElement::FREE, ChromElement::eMode rotMode=ChromElement::FREE, double maxTrans=0.0, double maxRot=0.0)
 
int GetNumStartCoords () const
 
const Coord & GetStartCoord (int iCoord) const
 
double GetTransStepSize () const
 
double GetRotStepSize () const
 
ChromElement::eMode GetTransMode () const
 
ChromElement::eMode GetRotMode () const
 
int GetLength () const
 
int GetXOverLength () const
 
bool IsTransFixed () const
 
bool IsRotFixed () const
 
double GetMaxTrans () const
 
double GetMaxRot () const
 
const Coord & GetInitialCOM () const
 
const Euler & GetInitialOrientation () const
 
const Quat & GetInitialQuat () const
 
void GetModelValue (Coord &com, Euler &orientation) const
 
void SetModelValue (const Coord &com, const Euler &orientation)
 

Static Public Attributes

static const std::string _CT = "ChromPositionRefData"
 
static const PrincipalAxes CARTESIAN_AXES
 

Friends

void to_json (json &j, const ChromPositionRefData &chrposrdata)
 
void from_json (const json &j, ChromPositionRefData &chrposrdata)
 
The documentation for this class was generated from the following files:
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