rxdock::HydroAromaticConstraint Class Reference

Inheritance diagram for rxdock::HydroAromaticConstraint:

Public Member Functions
	HydroAromaticConstraint (Coord c, double t)
void	AddAtomList (ModelPtr, bool bCheck=true)
Public Member Functions inherited from rxdock::Constraint
	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 unsigned int	counter = 0
Static Public Attributes inherited from rxdock::Constraint
static const std::string	_CT = "Constraint"

Additional Inherited Members
Protected Attributes inherited from rxdock::Constraint
Coord	coord
double	tolerance
AtomList	m_atomList

Member Function Documentation

AddAtomList()

void HydroAromaticConstraint::AddAtomList ( ModelPtr  lig, bool  bCheck = true  )

virtual

Implements rxdock::Constraint.

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

• Constraint.h
• Constraint.cxx