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#include "math/SquareMatrix3.hpp" |
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#include "math/DynamicRectMatrix.hpp" |
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#include "primitives/Molecule.hpp" |
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< |
#include "applications/hydrodynamics/StuntDoubleShape.hpp" |
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< |
#include "utils/any.hpp" |
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> |
#include "utils/HydroProps.hpp" |
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> |
#include "utils/OOPSEConstant.hpp" |
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> |
#include "utils/HydroProps.hpp" |
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namespace oopse { |
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– |
struct HydrodynamicProps { |
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Vector3d diffCenter; |
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Mat3x3d Ddtt; |
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Mat3x3d Ddtr; |
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Mat3x3d Ddrr; |
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– |
Mat3x3d Xidtt; |
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– |
Mat3x3d Xidrt; |
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Mat3x3d Xidtr; |
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Mat3x3d Xidrr; |
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}; |
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|
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struct BeadParam { |
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std::string atomName; |
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double radius; |
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}; |
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|
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typedef std::map<std::string, boost::any> DynamicProperty; |
60 |
> |
class Spheric; |
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> |
class Ellipsoid; |
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> |
class CompositeShape; |
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|
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class HydrodynamicsModel { |
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public: |
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HydrodynamicsModel(StuntDouble* sd, const DynamicProperty& extraParams); |
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bool calcHydrodyanmicsProps(); |
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> |
HydrodynamicsModel(StuntDouble* sd, SimInfo* info) : sd_(sd), info_(info) {} |
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> |
virtual ~HydrodynamicsModel() {} |
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> |
virtual bool calcHydroProps(Spheric* spheric, double viscosity, double temperature); |
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> |
virtual bool calcHydroProps(Ellipsoid* ellipsoid, double viscosity, double temperature); |
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> |
virtual bool calcHydroProps(CompositeShape* compositexShape, double viscosity, double temperature); |
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|
72 |
< |
Vector3d getDiffCenter(); |
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< |
Mat3x3d getTransDiff(); |
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< |
Mat3x3d getRotDiff(); |
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< |
Mat3x3d getTransRotDiff(); |
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< |
void writeBeads(std::ostream& os); |
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< |
void writeDiffCenterAndDiffTensor(std::ostream& os); |
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> |
virtual void init() {}; |
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> |
virtual void writeBeads(std::ostream& os) = 0; |
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> |
void writeHydroProps(std::ostream& os); |
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> |
HydroProps getHydroPropsAtCR() {return cr_;} |
76 |
> |
HydroProps getHydroPropsAtCD() {return cd_;} |
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> |
|
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> |
void setCR(const HydroProps cr) {cr_ = cr;} |
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> |
void setCD(const HydroProps cd) { cd_ = cd;} |
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> |
std::string getStuntDoubleName() { return sd_->getType();} |
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protected: |
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|
StuntDouble* sd_; |
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+ |
SimInfo* info_; |
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private: |
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< |
virtual bool createBeads(std::vector<BeadParam>& beads) = 0; |
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< |
|
87 |
< |
void calcResistanceTensor(); |
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< |
void calcDiffusionTensor(); |
89 |
< |
HydrodynamicProps props_; |
85 |
> |
HydroProps cr_; |
86 |
> |
HydroProps cd_; |
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std::vector<BeadParam> beads_; |
91 |
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double viscosity_; |
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– |
double temperature_; |
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|
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}; |
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|
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|
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} |
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|
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#endif |