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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.
1.8.3.1