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 #define USE_COMPAT_CONST
00016 #include <tcl.h>
00017 #endif
00018 
00019 class GlobalMasterTcl : public GlobalMaster {
00020  public:
00021   GlobalMasterTcl();
00022   ~GlobalMasterTcl();
00023  protected:
00024   virtual void calculate();
00025  private:
00026   SubmitReduction *reduction;
00027   /* sets up the initial list of requested atoms */
00028   void initialize();
00029 #ifdef NAMD_TCL
00030   Tcl_Interp *interp;
00031   static int Tcl_print(ClientData, Tcl_Interp *, int, char **);
00032   static int Tcl_atomid(ClientData, Tcl_Interp *, int, char **);
00033   static int Tcl_getstep(ClientData, Tcl_Interp *, int, char **);
00034   static int Tcl_addatom(ClientData, Tcl_Interp *, int, char **);
00035   static int Tcl_addgroup(ClientData, Tcl_Interp *, int, char **);
00036   static int Tcl_reconfig(ClientData, Tcl_Interp *, int, char **);
00037   static int Tcl_clearconfig(ClientData, Tcl_Interp *, int, char **);
00038   static int Tcl_loadcoords(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00039   static int Tcl_loadmasses(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00040   static int Tcl_loadforces(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00041   static int Tcl_enabletotalforces(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00042   static int Tcl_disabletotalforces(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00043   static int Tcl_loadtotalforces(ClientData, Tcl_Interp *, int, Tcl_Obj * const []);
00044   static int Tcl_addforce(ClientData, Tcl_Interp *, int, Tcl_Obj * const []); 
00045   static int Tcl_addenergy(ClientData, Tcl_Interp *, int, char **);
00046 #endif
00047 };
00048 
00049 #endif

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