| 46 |
|
#include "primitives/Molecule.hpp" |
| 47 |
|
#include "math/SeqRandNumGen.hpp" |
| 48 |
|
#include "hydrodynamics/Shape.hpp" |
| 49 |
+ |
#include "integrators/Velocitizer.hpp" |
| 50 |
|
|
| 51 |
|
namespace oopse { |
| 52 |
|
|
| 54 |
|
StuntDouble* sd; |
| 55 |
|
Shape* shape; |
| 56 |
|
}; |
| 57 |
< |
|
| 57 |
< |
struct HydroProp{ |
| 58 |
< |
Vector3d cor; |
| 59 |
< |
Mat3x3d Xirtt; |
| 60 |
< |
Mat3x3d Xirrt; //Xirrt == Xirtr |
| 61 |
< |
Mat3x3d Xirtr; |
| 62 |
< |
Mat3x3d Xirrr; |
| 63 |
< |
Mat6x6d S; |
| 64 |
< |
}; |
| 65 |
< |
|
| 57 |
> |
|
| 58 |
|
/** |
| 59 |
|
* @class LDForceManager |
| 60 |
|
* Force manager for Lagevin Dynamics applying friction and random |
| 69 |
|
virtual void postCalculation(); |
| 70 |
|
|
| 71 |
|
private: |
| 72 |
< |
std::map<std::string, HydroProp> parseFrictionFile(const std::string& filename); |
| 72 |
> |
std::map<std::string, HydroProp*> parseFrictionFile(const std::string& filename); |
| 73 |
|
void genRandomForceAndTorque(Vector3d& force, Vector3d& torque, unsigned int index, RealType variance); |
| 74 |
< |
std::vector<HydroProp> hydroProps_; |
| 74 |
> |
std::vector<HydroProp*> hydroProps_; |
| 75 |
|
SeqRandNumGen randNumGen_; |
| 76 |
|
RealType variance_; |
| 77 |
|
RealType langevinBufferRadius_; |
| 78 |
|
RealType frozenBufferRadius_; |
| 79 |
|
bool sphericalBoundaryConditions_; |
| 80 |
+ |
Globals* simParams; |
| 81 |
+ |
Velocitizer* veloMunge; |
| 82 |
|
}; |
| 83 |
|
|
| 84 |
|
} //end namespace oopse |
