Output.h

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/*
   This object outputs the data collected on the master  node
*/

#ifndef OUTPUT_H
#define OUTPUT_H

#include "common.h"

class Vector;
class FloatVector;
class Lattice;

// semaphore "steps", must be negative
#define FILE_OUTPUT -1
#define END_OF_RUN -2
#define EVAL_MEASURE -3

class Output 
{

private:

   //  output coords to dcd file
   //  Pass non-NULL Lattice to include unit cell in the timesteps.
   void output_dcdfile(int, int, FloatVector *, const Lattice *); 
   void output_veldcdfile(int, int, Vector *);  //  output velocities to
                                                //  dcd file

   void output_restart_coordinates(Vector *, int, int);
                                                //  output coords to 
                                                //  restart file
   void output_restart_velocities(int, int, Vector *);
                                                //  output velocities to 
                                                //  restart file
   void output_final_coordinates(Vector *, int, int);//  output final coordinates
   void output_final_velocities(int, int, Vector *);    //  output final coordinates

   void scale_vels(Vector *, int, Real);        //  scale velocity vectors before output
   void write_binary_file(char *, int, Vector *); // Write a binary restart file with
                                                //  coordinates or velocities
public :
   Output();                                    //  Constructor
   ~Output();                                   //  Destructor
   void energy(int, BigReal *);                 //  Output energies

   static int coordinateNeeded(int);
   void coordinate(int, int, Vector *, FloatVector *, Lattice &);
                                                //  Produce appropriate 
                                                //  coordinate output for 
                                                //  the current timestep
   static int velocityNeeded(int);
   void velocity(int, int, Vector *);           //  Produce appropriate velocity
                                                //  output for the current 
                                                //  timestep
};

#endif

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