C++ (Cpp) ARG0_IS_DOUBLELIST Examples

Example #1

File: twist_stack_tcl.cpp Project: Clemson-MSE/espresso

int tclcommand_inter_parse_twist_stack(Tcl_Interp *interp, int bond_type, int argc, char **argv) {
  DoubleList params;
  
  init_doublelist(&params);

  argc--;
  argv++;

  if(!ARG0_IS_DOUBLELIST(params)) {
    twist_stack_usage(interp);
    return ES_ERROR;
  }

  if(params.n != 17) {
    puts("Wrong number of parameters");
    twist_stack_usage(interp);
    return ES_ERROR;
  }

  twist_stack_set_params(bond_type, &params);

  return ES_OK; 
}

Example #2

File: topology_tcl.cpp Project: HaoZeke/espresso

int tclcommand_analyze_set_parse_trapmol(Tcl_Interp *interp, int argc, char **argv)
{

#ifdef MOLFORCES
#ifdef EXTERNAL_FORCES
  int trap_flag = 0;
  int noforce_flag =0;
  int i;
#endif
#endif
  int mol_num;
  double spring_constant;
  double drag_constant;
  int isrelative;
  DoubleList trap_center;
  IntList trap_coords;
  IntList noforce_coords;
  char usage[] = "trapmol usage: <mol_id> { <xpos> <ypos> <zpos> } <isrelative> <spring_constant> <drag_constant> coords   { <trapped_coord> <trapped_coord> <trapped_coord> } noforce_coords {<noforce_coord> <noforce_coord> <noforce_coord>}";

  init_doublelist(&trap_center);
  init_intlist(&trap_coords);
  alloc_intlist(&trap_coords,3);
  init_intlist(&noforce_coords);
  alloc_intlist(&noforce_coords,3);
  /* Unless coords are specified the default is just to trap it completely */
  trap_coords.e[0] = 1;
  trap_coords.e[1] = 1;
  trap_coords.e[2] = 1;

  Tcl_ResetResult(interp);
  /* The first argument should be a molecule number */
  if (!ARG0_IS_I(mol_num)) {
    Tcl_AppendResult(interp, "first argument should be a molecule id", (char *)NULL);
    Tcl_AppendResult(interp, usage, (char *)NULL); 
    return TCL_ERROR;
  } else {
    /* Sanity checks */
    if (mol_num > n_molecules) {
      Tcl_AppendResult(interp, "trapmol: cannot trap mol %d because it does not exist",mol_num , (char *)NULL);
    return TCL_ERROR;
    }
    argc--;
    argv++;
  }

  /* The next argument should be a double list specifying the trap center */
  if (!ARG0_IS_DOUBLELIST(trap_center)) {
    Tcl_AppendResult(interp, "second argument should be a double list", (char *)NULL);
    Tcl_AppendResult(interp, usage , (char *)NULL);
    return TCL_ERROR;
  } else {
    argc -= 1;
    argv += 1;
  }

  /* The next argument should be an integer specifying whether the trap is relative (fraction of box_l) or absolute */
  if (!ARG0_IS_I(isrelative)) {
    Tcl_AppendResult(interp, "third argument should be an integer", (char *)NULL);
    Tcl_AppendResult(interp, usage, (char *)NULL);
    return TCL_ERROR;
  } else {
    argc -= 1;
    argv += 1;
  }

  /* The next argument should be the spring constant for the trap */
  if (!ARG0_IS_D(spring_constant)) {
    Tcl_AppendResult(interp, "fourth argument should be a double", (char *)NULL);
    Tcl_AppendResult(interp, usage, (char *)NULL);
    return TCL_ERROR;
  } else {
    argc -= 1;
    argv += 1;
  }

  /* The next argument should be the drag constant for the trap */
  if (!ARG0_IS_D(drag_constant)) {
    Tcl_AppendResult(interp, "fifth argument should be a double", (char *)NULL);
    Tcl_AppendResult(interp, usage, (char *)NULL);
    return TCL_ERROR;
  } else {
    argc -= 1;
    argv += 1;
  }

  /* Process optional arguments */
  while ( argc > 0 ) {    
    if ( ARG0_IS_S("coords") ) {
      if ( !ARG_IS_INTLIST(1,trap_coords) ) {
	Tcl_AppendResult(interp, "an intlist is required to specify coords", (char *)NULL);
	Tcl_AppendResult(interp, usage, (char *)NULL);
	return TCL_ERROR;
      }
      argc -= 2;
      argv += 2;
    } else if ( ARG0_IS_S("noforce_coords")) {
      if ( !ARG_IS_INTLIST(1,noforce_coords) ) {
	Tcl_AppendResult(interp, "an intlist is required to specify coords", (char *)NULL);
	Tcl_AppendResult(interp, usage, (char *)NULL);
	return TCL_ERROR;
      }
      argc -= 2;
      argv += 2;
    } else {
      Tcl_AppendResult(interp, "an option is not recognised", (char *)NULL);
      Tcl_AppendResult(interp, usage, (char *)NULL);
      return TCL_ERROR;
    }      
  }

#ifdef MOLFORCES 
#ifdef EXTERNAL_FORCES 
  for (i = 0; i < 3; i++) {
    if (trap_coords.e[i])
      trap_flag |= COORD_FIXED(i);
  
    if (noforce_coords.e[i])
      noforce_flag |= COORD_FIXED(i);
  }
  if (set_molecule_trap(mol_num, trap_flag,&trap_center,spring_constant, drag_constant, noforce_flag, isrelative) == TCL_ERROR) {
    Tcl_AppendResult(interp, "set topology first", (char *)NULL);
    return TCL_ERROR;
  }
#else
    Tcl_AppendResult(interp, "Error: EXTERNAL_FORCES not defined ", (char *)NULL);
    return TCL_ERROR;
#endif
#endif

  realloc_doublelist(&trap_center,0);
  realloc_intlist(&trap_coords,0);
  realloc_intlist(&noforce_coords,0);
  return tclcommand_analyze_set_parse_topo_part_sync(interp);
  
}