#include <gromacs/restraint/restraintmdmodule.h>
MDModule wrapper for Restraint implementations.
Shares ownership of an object implementing the IRestraintPotential interface. Provides the IMDModule interfaces.
Wrap a restraint potential as an MDModule.
- Parameters
-
restraint | shared ownership of an object for calculating restraint forces. |
- Returns
- new wrapper object sharing ownership of restraint.
Consumers of the interfaces provided by an IMDModule do not extend the lifetime of the interface objects returned by mdpOptionProvider(), outputProvider(), or registered via initForceProviders(). Calling code must keep this object alive as long as those interfaces are needed (probably the duration of an MD run).
- Parameters
-
restraint | handle to object to wrap |
sites | list of sites for the framework to pass to the restraint |
void gmx::RestraintMDModule::initForceProviders |
( |
ForceProviders * |
forceProviders | ) |
|
|
overridevirtual |
The documentation for this class was generated from the following files: