WaterDroplet Class Reference
#include <WaterDroplet.h>
Inheritance diagram for WaterDroplet:
Public Member Functions | |
| WaterDroplet (CompoundSystem &system, TinkerDuMMForceFieldSubsystem &dumm, GeneralForceSubsystem &forces, Vec3 dropletCenter=Vec3(-1.3, 2.0,.3), float dropletRadius=2.00, float arista=0.310433899) | |
Constructor & Destructor Documentation
| WaterDroplet | ( | CompoundSystem & | system, | |
| TinkerDuMMForceFieldSubsystem & | dumm, | |||
| GeneralForceSubsystem & | forces, | |||
| Vec3 | dropletCenter = Vec3(-1.3,2.0,.3), |
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| float | dropletRadius = 2.00, |
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| float | arista = 0.310433899 | |||
| ) | [inline] |
References CompoundSystem::adoptCompound(), Compound::calcDefaultAtomLocationInGroundFrame(), Compound::getAtomName(), Compound::getNAtoms(), CompoundSystem::getNumCompounds(), fkinkryx::i, k, Compound::setPdbChainId(), Compound::setPdbResidueName(), Compound::setPdbResidueNumber(), and CompoundSystem::updCompound().
The documentation for this class was generated from the following file:
