ComputeTclBC.h

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#ifndef COMPUTETCLBC_H
#define COMPUTETCLBC_H


#include "ComputeHomePatches.h"
#include "ReductionMgr.h"
#include "Tensor.h"
#ifdef NAMD_TCL
#include <tcl.h>
#endif

#if !defined(WIN32)  && !defined(__CYGWIN__)
#include <strings.h>
#endif

class ComputeMgr;

class ComputeTclBC : public ComputeHomePatches {

public:
  ComputeTclBC(ComputeID c);
  virtual ~ComputeTclBC();
  void doWork();

private:
  int wrapmode;
  Lattice *lattice;

  ResizeArray<char> drops;
  void cleardrops() {
    memset((void*)drops.begin(), 0, drops.size()*sizeof(char));
  }

  ResizeArrayIter<PatchElem> ap;
  int i_atom, n_atom;
  CompAtom *atoms;
  FullAtom *fullatoms;
  Force *forces;
  BigReal energy;
  SubmitReduction *reduction;

#ifdef NAMD_TCL
  Tcl_Interp *interp;
  static int Tcl_print(ClientData, Tcl_Interp *, int, const char **);
  static int Tcl_wrapmode(ClientData, Tcl_Interp *, int, const char **);
  static int Tcl_cleardrops(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
  static int Tcl_dropatom(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
  static int Tcl_nextatom(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
  static int Tcl_getcoord(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
  static int Tcl_getcell(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
  static int Tcl_getmass(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
  static int Tcl_getcharge(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
  static int Tcl_getid(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
  static int Tcl_addforce(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
  static int Tcl_addenergy(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
#endif

};

#endif