ComputeStir.h

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/* Barry Isralewitz, July 2001 */

#ifndef COMPUTESTIR_H
#define COMPUTESTIR_H

#include "ComputeHomePatch.h"
#include "ReductionMgr.h"
#include "Vector.h"
#include "Tensor.h"


class ComputeStir : public ComputeHomePatch
{

 public:
        ComputeStir(ComputeID c, PatchID pid);  //  Constructor
        virtual ~ComputeStir();                 //  Destructor
        
        virtual void doForce(FullAtom* p, Results* r);
        
        SubmitReduction *reduction;
 private:  

        Bool stirOn;
        BigReal omega; //rotation speed in radians/timestep
        BigReal startingTheta; //rotation offset in radians, normally zero
                         // even for restarted runs 
                         // since offset is automatically calculated 
                         // as omega * firsttimestep 
                         // useful to change speeds midrun
                         // or start torque mid-run, without losing
                         // track of timestep for handy bookeeping
        Tensor matMult (Tensor , Tensor );   //multiplies two matrices
        Tensor arbRotMat (BigReal theta); //make arbRotation matrix
                                          // needs pre/post translation
        Vector axisUnit;    //rotation axis direction
        Vector pivot;      //rotation axis pivot
        void printTensor (Tensor &);  //for debug printing
        void initVars ();     //initialize the matrices needed
        BigReal distanceToRay(Vector,Vector,Vector);// find dist. to Ray
        BigReal findHeight(Vector);      //find height along vector
        Vector projectionOnRay (Vector,Vector,Vector); //find projection on ray
        Vector placeThetaRadius (BigReal,BigReal,BigReal); //find point given theta
                                                    //and radius
          
        BigReal findTheta (Vector refPos);
        Tensor leftMat, rightMat; // for arbitary rotations and related
                                  // coordinate operations

};

#endif