cdcomm.c

一个很好的分子动力学程序

/*
************************************************************************
Include Files
************************************************************************
*/
#include <stdio.h>
#include <string.h>
#include <stdarg.h>
#include "cdhouse.h"
#include "iomngr.h"
#include "strsub.h"
#include "cdsubs.h"
#include "plotc.h"


/*
************************************************************************
Compile Switches
************************************************************************
*/

#define USE_COMMAND_PARSER_FUNCTION
#undef  USE_COMMAND_PARSER_FUNCTION


/*
************************************************************************
Global Variables
************************************************************************
*/
extern Particle_t   *a;
extern Simulation_t *s;
extern FILE       *out;
extern LIST       *inlist;

/*
************************************************************************
Module-wide Variables
************************************************************************
*/
static int NumberOfCommandErrors_m = 0;
static int NumberOfWarnings_m = 0;

/*  Local Command Buffer  */
#ifdef USE_COMMAND_PARSER_FUNCTION
static char CharBuffer_m[2048];
#endif

/*
************************************************************************
Exported Functions
************************************************************************
*/
void read_command (char *instr, int *qflag)
{
   char *lpnt, *cpnt, *cmdstr, *tailstr;
   char copystr[256];

   strcpy (copystr, instr);
	ReplaceMacro (copystr, 256);

   /*  PARSE  STRING INTO COMMAND LINES  */
	lpnt = copystr;
   while (*(cpnt=strlin(&lpnt)))
      {

      /*  Skip comments (preceded by * or #)  */
      if (IsComment (cpnt, "*#") )
			continue;

      tailstr = cpnt;

      /*  PARSE COMMAND  */
      cmdstr = strhed (&tailstr);

      /*  Match Command  */
      if      ( cmdstr[0] == '\''          )    fprintf (out, "%s\n", instr);
      else if (!strcmpi(cmdstr,""         ));
      else if (!strcmpi(cmdstr,"QUIT"     ))    *qflag = TRUE;
      else if (!strcmpi(cmdstr,"ALLOCATE" ))    read_allocate (tailstr);
      else if (!strcmpi(cmdstr,"BOX"      ))    read_box      (tailstr);
      else if (!strcmpi(cmdstr,"BSAVE"    ))    read_bsave    (tailstr);
      else if (!strcmpi(cmdstr,"CALC"     ))    read_calc     (tailstr);
      else if (!strcmpi(cmdstr,"CLAMP"    ))    read_clamp    (tailstr);
      else if (!strcmpi(cmdstr,"COMPARE"  ))    read_compare  (tailstr);
      else if (!strcmpi(cmdstr,"CONSTRAIN"))    read_constrain(tailstr);
      else if (!strcmpi(cmdstr,"COR"      ))    read_cor      (tailstr);
      else if (!strcmpi(cmdstr,"CMD"      ))    read_cmd      (tailstr);
      else if (!strcmpi(cmdstr,"DAMP"     ))    read_damp     (tailstr);
      else if (!strcmpi(cmdstr,"DEBUG"    ))    read_debug    (tailstr);
      else if (!strcmpi(cmdstr,"DISP"     ))    read_disp     (tailstr);
      else if (!strcmpi(cmdstr,"DTIME"    ))    read_dtime    (tailstr);
      else if (!strcmpi(cmdstr,"DUP"      ))    read_dup      (tailstr);
      else if (!strcmpi(cmdstr,"ECHO"     ))    read_echo     (tailstr);
      else if (!strcmpi(cmdstr,"ERASE"    ))    read_erase    (tailstr);
      else if (!strcmpi(cmdstr,"ESAVE"    ))    read_esave    (tailstr);
      else if (!strcmpi(cmdstr,"EUNIT"    ))    read_eunit    (tailstr);
      else if (!strcmpi(cmdstr,"EXTFORCE" ))    read_extforce (tailstr);
      else if (!strcmpi(cmdstr,"EXTSPRING"))    read_extspring(tailstr);
      else if (!strcmpi(cmdstr,"FIX"      ))    read_fix      (tailstr);
      else if (!strcmpi(cmdstr,"FILL"     ))    read_fill     (tailstr);
      else if (!strcmpi(cmdstr,"ITEMP"    ))    read_itemp    (tailstr);
      else if (!strcmpi(cmdstr,"LABEL"    ))    read_label    (tailstr);
      else if (!strcmpi(cmdstr,"MACRO"    ))    read_macro    (tailstr);
      else if (!strcmpi(cmdstr,"MACROF"   ))    read_macrof   (tailstr);
      else if (!strcmpi(cmdstr,"MASS"     ))    read_mass     (tailstr);
      else if (!strcmpi(cmdstr,"MC"       ))    read_mc       (tailstr);
      else if (!strcmpi(cmdstr,"MOVE"     ))    read_move     (tailstr);
      else if (!strcmpi(cmdstr,"NRANGE"   ))    read_nrange   (tailstr);
      else if (!strcmpi(cmdstr,"PARTICLE" ))    read_particle (tailstr);
      else if (!strcmpi(cmdstr,"PLOT"     ))    read_plot     (tailstr);
      else if (!strcmpi(cmdstr,"POSITION" ))    read_particle (tailstr);
      else if (!strcmpi(cmdstr,"POSVEL"   ))    read_posvel   (tailstr);
      else if (!strcmpi(cmdstr,"POTENTIAL"))    read_potential(tailstr);
      else if (!strcmpi(cmdstr,"PRESSURE" ))    read_pressure (tailstr);
      else if (!strcmpi(cmdstr,"PSTRAIN"  ))    read_pstrain  (tailstr);
      else if (!strcmpi(cmdstr,"QUENCH"   ))    read_quench   (tailstr);
      else if (!strcmpi(cmdstr,"RCV"      ))    read_rcv      (tailstr);
      else if (!strcmpi(cmdstr,"READ"     ))    read_read     (tailstr);
      else if (!strcmpi(cmdstr,"REFSTEP"  ))    read_refstep  (tailstr);
      else if (!strcmpi(cmdstr,"REMOVE"   ))    read_remove   (tailstr);
      else if (!strcmpi(cmdstr,"REPEAT"   ))    read_repeat   (tailstr);
      else if (!strcmpi(cmdstr,"ROTATE"   ))    read_rotate   (tailstr);
      else if (!strcmpi(cmdstr,"RUN"      ))    read_run      (tailstr);
      else if (!strcmpi(cmdstr,"SCALE"    ))    read_scale    (tailstr);
      else if (!strcmpi(cmdstr,"SCREW"    ))    read_screw    (tailstr);
      else if (!strcmpi(cmdstr,"SEED"     ))    read_seed     (tailstr);
      else if (!strcmpi(cmdstr,"SELECT"   ))    read_select   (tailstr);
      else if (!strcmpi(cmdstr,"SET"      ))    read_set      (tailstr);
      else if (!strcmpi(cmdstr,"SIZE"     ))    read_size     (tailstr);
      else if (!strcmpi(cmdstr,"SSAVE"    ))    read_ssave    (tailstr);
      else if (!strcmpi(cmdstr,"STATE"    ))    read_state    (tailstr);
      else if (!strcmpi(cmdstr,"STEP"     ))    read_step     (tailstr);
      else if (!strcmpi(cmdstr,"STRESS"   ))    read_stress   (tailstr);
      else if (!strcmpi(cmdstr,"SURFACE"  ))    read_surface  (tailstr);
      else if (!strcmpi(cmdstr,"TAG"      ))    read_tag      (tailstr);
      else if (!strcmpi(cmdstr,"TYPE"     ))    read_type     (tailstr);
      else if (!strcmpi(cmdstr,"TYPELIST" ))    read_typelist (tailstr);
      else if (!strcmpi(cmdstr,"TYPENAME" ))    read_typename (tailstr);
      else if (!strcmpi(cmdstr,"VELOCITY" ))    read_velocity (tailstr);
      else if (!strcmpi(cmdstr,"VERBOSE"  ))    read_verbose  (tailstr);
      /* Maintain compatability with old name for PRESSURE command  */
      else if (!strcmpi(cmdstr,"VOLUME"   ))    read_pressure (tailstr);
      else if (!strcmpi(cmdstr,"WAVE"     ))    read_wave     (tailstr);
      else if (!strcmpi(cmdstr,"WRITE"    ))    read_write    (tailstr);
      else
         {
         puts ("***  ERROR: PREVIOUS COMMAND NOT RECOGNIZED.");
         NumberOfCommandErrors_m++;
         }
      }
   }

int GetNumberOfCommandErrors (void)
   {
   return NumberOfCommandErrors_m;
   }

int GetNumberOfWarnings (void)
   {
   return NumberOfWarnings_m;
   }

void IncrementNumberOfWarnings (void)
   {
   NumberOfWarnings_m++;
   }

#ifdef USE_COMMAND_PARSER_FUNCTION
void x (char *format, ...)
{
   va_list argptr;
   int qflag = 0;
   char *cp  = (char *) CharBuffer_m;

   /*  CONVERT ARGUMENTS TO STRING  */
   va_start (argptr, format);
   vsprintf (CharBuffer_m, format, argptr);
   va_end   (argptr);

   /*  CALL COMMAND PROCESSOR  */
   read_command (cp, &qflag);
}
#endif