| 46 |
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#include "math/SquareMatrix3.hpp" |
| 47 |
|
#include "math/DynamicRectMatrix.hpp" |
| 48 |
|
#include "primitives/Molecule.hpp" |
| 49 |
< |
#include "applications/hydrodynamics/MoleculeShape.hpp" |
| 49 |
> |
#include "applications/hydrodynamics/StuntDoubleShape.hpp" |
| 50 |
|
#include "utils/any.hpp" |
| 51 |
|
namespace oopse { |
| 52 |
|
struct HydrodynamicProps { |
| 53 |
|
Vector3d diffCenter; |
| 54 |
< |
Mat3x3d transDiff; |
| 55 |
< |
Mat3x3d rotDiff; |
| 56 |
< |
Mat3x3d transRotDiff; |
| 54 |
> |
Mat3x3d Ddtt; |
| 55 |
> |
Mat3x3d Ddtr; |
| 56 |
> |
Mat3x3d Ddrr; |
| 57 |
> |
Mat3x3d Xidtt; |
| 58 |
> |
Mat3x3d Xidrt; |
| 59 |
> |
Mat3x3d Xidtr; |
| 60 |
> |
Mat3x3d Xidrr; |
| 61 |
|
}; |
| 62 |
|
|
| 63 |
|
struct BeadParam { |
| 70 |
|
|
| 71 |
|
class HydrodynamicsModel { |
| 72 |
|
public: |
| 73 |
< |
HydrodynamicsModel(Molecule* mol, const DynamicProperty& extraParams) : mol_(mol) {} |
| 74 |
< |
bool calcHydrodyanmicsProps(double eta); |
| 73 |
> |
HydrodynamicsModel(StuntDouble* sd, const DynamicProperty& extraParams); |
| 74 |
> |
bool calcHydrodyanmicsProps(); |
| 75 |
|
|
| 76 |
|
Vector3d getDiffCenter(); |
| 77 |
|
Mat3x3d getTransDiff(); |
| 80 |
|
void writeBeads(std::ostream& os); |
| 81 |
|
void writeDiffCenterAndDiffTensor(std::ostream& os); |
| 82 |
|
protected: |
| 83 |
< |
Molecule* mol_; |
| 83 |
> |
StuntDouble* sd_; |
| 84 |
|
private: |
| 85 |
|
virtual bool createBeads(std::vector<BeadParam>& beads) = 0; |
| 86 |
|
|
| 87 |
< |
|
| 87 |
> |
void calcResistanceTensor(); |
| 88 |
> |
void calcDiffusionTensor(); |
| 89 |
|
HydrodynamicProps props_; |
| 90 |
|
std::vector<BeadParam> beads_; |
| 91 |
+ |
double viscosity_; |
| 92 |
+ |
double temperature_; |
| 93 |
|
|
| 94 |
|
}; |
| 95 |
|
|
