BALL::AmberBend Class Reference
[AMBER Force Field.]
#include <BALL/MOLMEC/AMBER/amberBend.h>
Inheritance diagram for BALL::AmberBend:
Public Member Functions | |
Constructors and Destructors | |
| AmberBend () | |
| AmberBend (ForceField &force_field) | |
| AmberBend (const AmberBend &amber_stretch) | |
| virtual | ~AmberBend () |
Setup Methods | |
| virtual bool | setup () throw (Exception::TooManyErrors) |
Accessors | |
| virtual double | updateEnergy () |
| virtual void | updateForces () |
Private Attributes | |
| vector< QuadraticAngleBend::Data > | bend_ |
| QuadraticAngleBend | bend_parameters_ |
Detailed Description
Amber bond stretch component
Constructor & Destructor Documentation
| BALL::AmberBend::AmberBend | ( | ) |
Default constructor.
| BALL::AmberBend::AmberBend | ( | ForceField & | force_field | ) |
Constructor.
| BALL::AmberBend::AmberBend | ( | const AmberBend & | amber_stretch | ) |
Copy constructor
| virtual BALL::AmberBend::~AmberBend | ( | ) | [virtual] |
Destructor.
Member Function Documentation
| virtual bool BALL::AmberBend::setup | ( | ) | throw (Exception::TooManyErrors) [virtual] |
Setup method.
Reimplemented from BALL::ForceFieldComponent.
| virtual double BALL::AmberBend::updateEnergy | ( | ) | [virtual] |
Calculates and returns the component's energy.
Reimplemented from BALL::ForceFieldComponent.
| virtual void BALL::AmberBend::updateForces | ( | ) | [virtual] |
Calculates and returns the component's forces.
Reimplemented from BALL::ForceFieldComponent.
Member Data Documentation
vector<QuadraticAngleBend::Data> BALL::AmberBend::bend_ [private] |