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#include "brains/DataStorage.hpp" |
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#include "brains/Stats.hpp" |
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#include "UseTheForce/DarkSide/simulation_interface.h" |
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using namespace std; |
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namespace oopse{ |
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class Snapshot { |
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public: |
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Snapshot(int nAtoms, int nRigidbodies) { |
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Snapshot(int nAtoms, int nRigidbodies) : currentTime_(0), chi_(0.0), integralOfChiDt_(0.0), eta_(0.0) { |
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atomData.resize(nAtoms); |
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rigidbodyData.resize(nRigidbodies); |
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} |
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Snapshot(const Snapshot& s); |
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Snapshot& operator =(const Snapshot& s); |
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/** Returns the id of this Snapshot */ |
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int getID() { |
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setFortranBox(fortranHmat, fortranInvHmat, &orthoRhombic_); |
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} |
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void getVolume() { |
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double getVolume() { |
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return hmat_.determinant(); |
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} |
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void wrapVector(Vector3d& v); |
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double getTimeStamp() { |
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return timeStamp_; |
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double getTime() { |
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return currentTime_; |
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} |
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void setTimeStamp(double timeStamp) { |
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timeStamp_ =timeStamp; |
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void increaseTime(double dt) { |
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setTime(getTime() + dt); |
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} |
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void setTime(double time) { |
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currentTime_ =time; |
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//time at statData is redundant |
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statData[Stats::TIME] = timeStamp_; |
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statData[Stats::TIME] = currentTime_; |
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} |
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double getChi() { |
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Stats statData; |
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private: |
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double timeStamp_; |
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double currentTime_; |
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Mat3x3d hmat_; |
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Mat3x3d invHmat_; |