BALL
1.4.2
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#include <BALL/MOLMEC/CHARMM/charmmStretch.h>
Public Member Functions | |
Constructors and Destructors | |
CharmmStretch () | |
CharmmStretch (ForceField &force_field) | |
virtual | ~CharmmStretch () |
Setup Methods | |
virtual bool | setup () throw (Exception::TooManyErrors) |
Public Member Functions inherited from BALL::StretchComponent | |
StretchComponent () | |
StretchComponent (ForceField &force_field) | |
virtual | ~StretchComponent () |
virtual double | updateEnergy () |
More... | |
virtual void | updateForces () |
More... | |
Public Member Functions inherited from BALL::ForceFieldComponent | |
ForceFieldComponent () | |
ForceFieldComponent (ForceField &force_field) | |
ForceFieldComponent (const ForceFieldComponent &force_field_component) | |
virtual | ~ForceFieldComponent () |
ForceField * | getForceField () const |
void | setForceField (ForceField &force_field) |
void | setName (const String &name) |
String | getName () const |
bool | isEnabled () const |
void | setEnabled (bool state) |
virtual double | getEnergy () const |
virtual void | update () throw (Exception::TooManyErrors) |
Additional Inherited Members | |
Protected Attributes inherited from BALL::StretchComponent | |
std::vector < QuadraticBondStretch::Data > | stretch_ |
QuadraticBondStretch | stretch_parameters_ |
Charmm bond stretch component
Definition at line 23 of file charmmStretch.h.
BALL::CharmmStretch::CharmmStretch | ( | ) |
Default constructor.
BALL::CharmmStretch::CharmmStretch | ( | ForceField & | force_field | ) |
Constructor.
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virtual |
Destructor.
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virtual |
Setup method.
Reimplemented from BALL::ForceFieldComponent.