--- trunk/src/brains/ForceManager.hpp 2005/04/15 22:04:00 507 +++ trunk/src/brains/ForceManager.hpp 2008/07/04 20:54:29 1275 @@ -51,16 +51,18 @@ #define BRAINS_FORCEMANAGER_HPP #include "brains/SimInfo.hpp" - +#include "primitives/Molecule.hpp" namespace oopse { - /** * @class ForceManager ForceManager.hpp "brains/ForceManager.hpp" - * ForceManager is responsible for calculating the short range interactions (c++) and - * long range interactions(fortran). If fortran side is not setup before the force calculation, - * call SimInfo's update function to settle it down. - * @note the reason we delay fortran side's setup is that some applications (Dump2XYZ etc.) - * may not need force calculation, why bother? + * ForceManager is responsible for calculating the short range + * interactions (C++) and long range interactions (Fortran). If the + * Fortran side is not set up before the force calculation, call + * SimInfo's update function to settle it down. + * + * @note the reason we delay fortran side's setup is that some + * applications (Dump2XYZ etc.) may not need force calculation, so why + * bother? */ class ForceManager { @@ -69,8 +71,8 @@ namespace oopse { virtual ~ForceManager() {} - //public virtual function should be avoided - /**@todo need refactory */ + // public virtual functions should be avoided + /**@todo needs refactoring */ virtual void calcForces(bool needPotential, bool needStress); virtual void init() {} @@ -82,10 +84,15 @@ namespace oopse { virtual void calcLongRangeInteraction(bool needPotential, bool needStress); - virtual void postCalculation(); + virtual void postCalculation(bool needStress); SimInfo * info_; + std::map bendDataSets; + std::map torsionDataSets; + std::map inversionDataSets; + Mat3x3d tau; + }; } //end namespace oopse