GlobalMasterTcl.h

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00001 
00007 /*
00008    Forwards atoms to master node for force evaluation.
00009 */
00010 
00011 #ifndef COMPUTETCL_H
00012 #define COMPUTETCL_H
00013 
00014 #ifdef NAMD_TCL
00015 #include <tcl.h>
00016 #endif
00017 
00018 class GlobalMasterTcl : public GlobalMaster {
00019  public:
00020   GlobalMasterTcl();
00021   ~GlobalMasterTcl();
00022  protected:
00023   virtual void calculate();
00024  private:
00025   SubmitReduction *reduction;
00026   /* sets up the initial list of requested atoms */
00027   void initialize();
00028 #ifdef NAMD_TCL
00029   Tcl_Interp *interp;
00030   static int Tcl_print(ClientData, Tcl_Interp *, int, const char **);
00031   static int Tcl_atomid(ClientData, Tcl_Interp *, int, const char **);
00032   static int Tcl_getstep(ClientData, Tcl_Interp *, int, const char **);
00033   static int Tcl_addatom(ClientData, Tcl_Interp *, int, const char **);
00034   static int Tcl_addgroup(ClientData, Tcl_Interp *, int, const char **);
00035   static int Tcl_reconfig(ClientData, Tcl_Interp *, int, const char **);
00036   static int Tcl_clearconfig(ClientData, Tcl_Interp *, int, const char **);
00037   static int Tcl_loadcoords(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00038   static int Tcl_loadmasses(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00039   static int Tcl_loadforces(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00040   static int Tcl_enabletotalforces(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00041   static int Tcl_disabletotalforces(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00042   static int Tcl_loadtotalforces(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00043   static int Tcl_addforce(ClientData, Tcl_Interp *, int, Tcl_Obj * const []); 
00044   static int Tcl_addenergy(ClientData, Tcl_Interp *, int, const char **);
00045 #endif
00046 };
00047 
00048 #endif

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