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 Attributes | Friends | List of all members
rxdock::Constraint Class Referenceabstract
Inheritance diagram for rxdock::Constraint:
rxdock::HBAConstraint rxdock::HBDConstraint rxdock::HeavyConstraint rxdock::HydroAliphaticConstraint rxdock::HydroAromaticConstraint rxdock::HydroConstraint rxdock::NegChargeConstraint rxdock::PosChargeConstraint rxdock::RingAromaticConstraint

Public Member Functions

 Constraint (Coord, double)
 
 Constraint (const Constraint &)
 
 Constraint (json j)
 
void copy (const Constraint &)
 
std::ostream & Print (std::ostream &) const
 
Coord GetCoords () const
 
double GetTolerance () const
 
virtual void AddAtomList (ModelPtr, bool bCheck=true)=0
 
double Score () const
 

Static Public Attributes

static const std::string _CT = "Constraint"
 

Protected Attributes

Coord coord
 
double tolerance
 
AtomList m_atomList
 

Friends

void to_json (json &j, const Constraint &constraint)
 
void from_json (const json &j, Constraint &constraint)
 
std::ostream & operator<< (std::ostream &, const Constraint &)
 
The documentation for this class was generated from the following files:
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