/*
- *
+ *
* This source code is part of
- *
+ *
* G R O M A C S
- *
+ *
* GROningen MAchine for Chemical Simulations
- *
+ *
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
- *
+ *
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
- *
+ *
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
- *
+ *
* For more info, check our website at http://www.gromacs.org
- *
+ *
* And Hey:
* GROningen Mixture of Alchemy and Childrens' Stories
*/
#include "macros.h"
#include "wman.h"
-/* The source code in this file should be thread-safe.
+/* The source code in this file should be thread-safe.
Please keep it that way. */
gmx_bool is_hidden(t_pargs *pa)
{
- return ((strstr(pa->desc,"HIDDEN") != NULL) ||
- (strstr(pa->desc,"[hidden]") != NULL));
+ return ((strstr(pa->desc, "HIDDEN") != NULL) ||
+ (strstr(pa->desc, "[hidden]") != NULL));
}
-void get_pargs(int *argc,char *argv[],int nparg,t_pargs pa[],gmx_bool bKeepArgs)
+void get_pargs(int *argc, char *argv[], int nparg, t_pargs pa[], gmx_bool bKeepArgs)
{
- int i,j,k,match;
+ int i, j, k, match;
gmx_bool *bKeep;
- char buf[32];
- char *ptr;
+ char buf[32];
+ char *ptr;
- snew(bKeep,*argc+1);
+ snew(bKeep, *argc+1);
bKeep[0] = TRUE;
bKeep[*argc] = TRUE;
- for(i=1; (i<*argc); i++) {
+ for (i = 1; (i < *argc); i++)
+ {
bKeep[i] = TRUE;
- for(j=0; (j<nparg); j++) {
- if (pa[j].type == etBOOL) {
- sprintf(buf,"-no%s",pa[j].option+1);
- if (strcmp(pa[j].option,argv[i])== 0) {
+ for (j = 0; (j < nparg); j++)
+ {
+ if (pa[j].type == etBOOL)
+ {
+ sprintf(buf, "-no%s", pa[j].option+1);
+ if (strcmp(pa[j].option, argv[i]) == 0)
+ {
*pa[j].u.b = TRUE;
pa[j].bSet = TRUE;
- bKeep[i] = FALSE;
+ bKeep[i] = FALSE;
}
- else if (strcmp(buf,argv[i])== 0) {
+ else if (strcmp(buf, argv[i]) == 0)
+ {
*pa[j].u.b = FALSE;
pa[j].bSet = TRUE;
- bKeep[i] = FALSE;
+ bKeep[i] = FALSE;
}
- }
- else if (strcmp(pa[j].option,argv[i])== 0) {
+ }
+ else if (strcmp(pa[j].option, argv[i]) == 0)
+ {
if (pa[j].bSet)
- fprintf(stderr,"Setting option %s more than once!\n",
+ {
+ fprintf(stderr, "Setting option %s more than once!\n",
pa[j].option);
+ }
pa[j].bSet = TRUE;
- bKeep[i] = FALSE;
- switch(pa[j].type) {
+ bKeep[i] = FALSE;
+ switch (pa[j].type)
+ {
case etINT:
- *pa[j].u.i = iscan(*argc,argv,&i);
+ *pa[j].u.i = iscan(*argc, argv, &i);
+ break;
+ case etGMX_LARGE_INT:
+ *pa[j].u.is = istepscan(*argc, argv, &i);
break;
- case etGMX_LARGE_INT:
- *pa[j].u.is = istepscan(*argc,argv,&i);
- break;
case etTIME:
case etREAL:
- *pa[j].u.r = dscan(*argc,argv,&i);
+ *pa[j].u.r = dscan(*argc, argv, &i);
break;
case etSTR:
- *(pa[j].u.c) = sscan(*argc,argv,&i);
+ *(pa[j].u.c) = sscan(*argc, argv, &i);
break;
case etENUM:
- match=NOTSET;
- ptr = sscan(*argc,argv,&i);
- for(k=1; (pa[j].u.c[k] != NULL); k++)
- /* only check ptr against beginning of
+ match = NOTSET;
+ ptr = sscan(*argc, argv, &i);
+ for (k = 1; (pa[j].u.c[k] != NULL); k++)
+ {
+ /* only check ptr against beginning of
pa[j].u.c[k] */
- if (gmx_strncasecmp(ptr,pa[j].u.c[k],strlen(ptr)) == 0)
- if ( ( match == NOTSET ) ||
- ( strlen(pa[j].u.c[k]) <
- strlen(pa[j].u.c[match]) ) )
+ if (gmx_strncasecmp(ptr, pa[j].u.c[k], strlen(ptr)) == 0)
+ {
+ if ( ( match == NOTSET ) ||
+ ( strlen(pa[j].u.c[k]) <
+ strlen(pa[j].u.c[match]) ) )
+ {
match = k;
- if (match!=NOTSET)
+ }
+ }
+ }
+ if (match != NOTSET)
+ {
pa[j].u.c[0] = pa[j].u.c[match];
- else
- gmx_fatal(FARGS,"Invalid argument %s for option %s",
- ptr,pa[j].option);
+ }
+ else
+ {
+ gmx_fatal(FARGS, "Invalid argument %s for option %s",
+ ptr, pa[j].option);
+ }
break;
case etRVEC:
- (*pa[j].u.rv)[0] = dscan(*argc,argv,&i);
- if ( (i+1 == *argc) ||
- ( (argv[i+1][0]=='-') &&
- !isdigit(argv[i+1][1]) ) )
- (*pa[j].u.rv)[1] =
- (*pa[j].u.rv)[2] =
- (*pa[j].u.rv)[0];
- else {
- bKeep[i] = FALSE;
- (*pa[j].u.rv)[1] = dscan(*argc,argv,&i);
- if ( (i+1 == *argc) ||
- ( (argv[i+1][0]=='-') &&
- !isdigit(argv[i+1][1]) ) )
+ (*pa[j].u.rv)[0] = dscan(*argc, argv, &i);
+ if ( (i+1 == *argc) ||
+ ( (argv[i+1][0] == '-') &&
+ !isdigit(argv[i+1][1]) ) )
+ {
+ (*pa[j].u.rv)[1] =
+ (*pa[j].u.rv)[2] =
+ (*pa[j].u.rv)[0];
+ }
+ else
+ {
+ bKeep[i] = FALSE;
+ (*pa[j].u.rv)[1] = dscan(*argc, argv, &i);
+ if ( (i+1 == *argc) ||
+ ( (argv[i+1][0] == '-') &&
+ !isdigit(argv[i+1][1]) ) )
+ {
gmx_fatal(FARGS,
- "%s: vector must have 1 or 3 real parameters",
- pa[j].option);
- bKeep[i] = FALSE;
- (*pa[j].u.rv)[2] = dscan(*argc,argv,&i);
+ "%s: vector must have 1 or 3 real parameters",
+ pa[j].option);
+ }
+ bKeep[i] = FALSE;
+ (*pa[j].u.rv)[2] = dscan(*argc, argv, &i);
}
break;
default:
- gmx_fatal(FARGS,"Invalid type %d in pargs",pa[j].type);
+ gmx_fatal(FARGS, "Invalid type %d in pargs", pa[j].type);
}
/* i may be incremented, so set it to not keep */
bKeep[i] = FALSE;
}
}
}
- if (!bKeepArgs) {
+ if (!bKeepArgs)
+ {
/* Remove used entries */
- for(i=j=0; (i<=*argc); i++) {
+ for (i = j = 0; (i <= *argc); i++)
+ {
if (bKeep[i])
- argv[j++]=argv[i];
+ {
+ argv[j++] = argv[i];
+ }
}
- (*argc)=j-1;
+ (*argc) = j-1;
}
sfree(bKeep);
}
-int opt2parg_int(const char *option,int nparg,t_pargs pa[])
+int opt2parg_int(const char *option, int nparg, t_pargs pa[])
{
- int i;
-
- for(i=0; (i<nparg); i++)
- if (strcmp(pa[i].option,option) == 0)
- return *pa[i].u.i;
-
- gmx_fatal(FARGS,"No integer option %s in pargs",option);
-
- return 0;
+ int i;
+
+ for (i = 0; (i < nparg); i++)
+ {
+ if (strcmp(pa[i].option, option) == 0)
+ {
+ return *pa[i].u.i;
+ }
+ }
+
+ gmx_fatal(FARGS, "No integer option %s in pargs", option);
+
+ return 0;
}
-gmx_bool opt2parg_gmx_bool(const char *option,int nparg,t_pargs pa[])
+gmx_bool opt2parg_gmx_bool(const char *option, int nparg, t_pargs pa[])
{
- int i;
-
- for(i=0; (i<nparg); i++)
- if (strcmp(pa[i].option,option) == 0)
- return *pa[i].u.b;
-
- gmx_fatal(FARGS,"No gmx_boolean option %s in pargs",option);
-
- return FALSE;
+ int i;
+
+ for (i = 0; (i < nparg); i++)
+ {
+ if (strcmp(pa[i].option, option) == 0)
+ {
+ return *pa[i].u.b;
+ }
+ }
+
+ gmx_fatal(FARGS, "No gmx_boolean option %s in pargs", option);
+
+ return FALSE;
}
-real opt2parg_real(const char *option,int nparg,t_pargs pa[])
+real opt2parg_real(const char *option, int nparg, t_pargs pa[])
{
- int i;
-
- for(i=0; (i<nparg); i++)
- if (strcmp(pa[i].option,option) == 0)
- return *pa[i].u.r;
-
- gmx_fatal(FARGS,"No real option %s in pargs",option);
-
- return 0.0;
+ int i;
+
+ for (i = 0; (i < nparg); i++)
+ {
+ if (strcmp(pa[i].option, option) == 0)
+ {
+ return *pa[i].u.r;
+ }
+ }
+
+ gmx_fatal(FARGS, "No real option %s in pargs", option);
+
+ return 0.0;
}
-const char *opt2parg_str(const char *option,int nparg,t_pargs pa[])
+const char *opt2parg_str(const char *option, int nparg, t_pargs pa[])
{
- int i;
-
- for(i=0; (i<nparg); i++)
- if (strcmp(pa[i].option,option) == 0)
- return *(pa[i].u.c);
-
- gmx_fatal(FARGS,"No string option %s in pargs",option);
-
- return NULL;
+ int i;
+
+ for (i = 0; (i < nparg); i++)
+ {
+ if (strcmp(pa[i].option, option) == 0)
+ {
+ return *(pa[i].u.c);
+ }
+ }
+
+ gmx_fatal(FARGS, "No string option %s in pargs", option);
+
+ return NULL;
}
-gmx_bool opt2parg_bSet(const char *option,int nparg,t_pargs pa[])
+gmx_bool opt2parg_bSet(const char *option, int nparg, t_pargs pa[])
{
- int i;
-
- for(i=0; (i<nparg); i++)
- if (strcmp(pa[i].option,option) == 0)
- return pa[i].bSet;
-
- gmx_fatal(FARGS,"No such option %s in pargs",option);
-
- return FALSE; /* Too make some compilers happy */
+ int i;
+
+ for (i = 0; (i < nparg); i++)
+ {
+ if (strcmp(pa[i].option, option) == 0)
+ {
+ return pa[i].bSet;
+ }
+ }
+
+ gmx_fatal(FARGS, "No such option %s in pargs", option);
+
+ return FALSE; /* Too make some compilers happy */
}
-const char *opt2parg_enum(const char *option,int nparg,t_pargs pa[])
+const char *opt2parg_enum(const char *option, int nparg, t_pargs pa[])
{
- int i;
-
- for(i=0; (i<nparg); i++)
- if (strcmp(pa[i].option,option) == 0)
- return pa[i].u.c[0];
-
- gmx_fatal(FARGS,"No such option %s in pargs",option);
-
- return NULL;
+ int i;
+
+ for (i = 0; (i < nparg); i++)
+ {
+ if (strcmp(pa[i].option, option) == 0)
+ {
+ return pa[i].u.c[0];
+ }
+ }
+
+ gmx_fatal(FARGS, "No such option %s in pargs", option);
+
+ return NULL;
}
char *pa_val(t_pargs *pa, char buf[], int sz)
{
- real r;
- char buf_str[1256]; buf_str[0]='\0';
-
- buf[0]='\0';
-
- if(sz<255)
- gmx_fatal(FARGS,"Buffer must be at least 255 chars\n");
-
- switch(pa->type) {
- case etINT:
- sprintf(buf,"%-d",*(pa->u.i));
- break;
- case etGMX_LARGE_INT:
- sprintf(buf,gmx_large_int_pfmt,*(pa->u.is));
- break;
- case etTIME:
- case etREAL:
- r=*(pa->u.r);
- sprintf(buf_str,"%-6g",r);
- strcpy(buf, buf_str);
- break;
- case etBOOL:
- sprintf(buf,"%-6s",*(pa->u.b) ? "yes" : "no");
- break;
- case etSTR:
- if (*(pa->u.c)) {
- if (strlen(*(pa->u.c)) >= (size_t)sz)
- gmx_fatal(FARGS,"Argument too long: \"%d\"\n",*(pa->u.c));
- else
- strcpy(buf,*(pa->u.c));
+ real r;
+ char buf_str[1256]; buf_str[0] = '\0';
+
+ buf[0] = '\0';
+
+ if (sz < 255)
+ {
+ gmx_fatal(FARGS, "Buffer must be at least 255 chars\n");
+ }
+
+ switch (pa->type)
+ {
+ case etINT:
+ sprintf(buf, "%-d", *(pa->u.i));
+ break;
+ case etGMX_LARGE_INT:
+ sprintf(buf, gmx_large_int_pfmt, *(pa->u.is));
+ break;
+ case etTIME:
+ case etREAL:
+ r = *(pa->u.r);
+ sprintf(buf_str, "%-6g", r);
+ strcpy(buf, buf_str);
+ break;
+ case etBOOL:
+ sprintf(buf, "%-6s", *(pa->u.b) ? "yes" : "no");
+ break;
+ case etSTR:
+ if (*(pa->u.c))
+ {
+ if (strlen(*(pa->u.c)) >= (size_t)sz)
+ {
+ gmx_fatal(FARGS, "Argument too long: \"%d\"\n", *(pa->u.c));
+ }
+ else
+ {
+ strcpy(buf, *(pa->u.c));
+ }
+ }
+ break;
+ case etENUM:
+ strcpy(buf, *(pa->u.c));
+ break;
+ case etRVEC:
+ sprintf(buf, "%g %g %g", (*pa->u.rv)[0],
+ (*pa->u.rv)[1],
+ (*pa->u.rv)[2]);
+ break;
}
- break;
- case etENUM:
- strcpy(buf,*(pa->u.c));
- break;
- case etRVEC:
- sprintf(buf,"%g %g %g",(*pa->u.rv)[0],
- (*pa->u.rv)[1],
- (*pa->u.rv)[2]);
- break;
- }
- return buf;
+ return buf;
}
#define OPTLEN 12
#define TYPELEN 6
#define LONGSTR 1024
-char *pargs_print_line(t_pargs *pa,gmx_bool bLeadingSpace)
+char *pargs_print_line(t_pargs *pa, gmx_bool bLeadingSpace)
{
- char buf[LONGSTR],*buf2,*tmp,*desc;
-
- snew(buf2,LONGSTR+strlen(pa->desc));
- snew(tmp,LONGSTR+strlen(pa->desc));
-
- if (pa->type == etBOOL)
- sprintf(buf,"-[no]%s",pa->option+1);
- else
- strcpy(buf,pa->option);
- desc = check_tty(pa->desc);
- if (strlen(buf)>((OPTLEN+TYPELEN)-max(strlen(get_arg_desc(pa->type)),4))) {
- sprintf(buf2,"%s%s %-6s %-6s %-s\n",
- bLeadingSpace ? " " : "",buf,
- get_arg_desc(pa->type),pa_val(pa,tmp,LONGSTR-1),desc);
- } else if (strlen(buf)>OPTLEN) {
- /* so type can be 3 or 4 char's, this fits in the %4s */
- sprintf(buf2,"%s%-14s %-4s %-6s %-s\n",
- bLeadingSpace ? " " : "",buf,get_arg_desc(pa->type),
- pa_val(pa,tmp,LONGSTR-1),desc);
- } else
- sprintf(buf2,"%s%-12s %-6s %-6s %-s\n",
- bLeadingSpace ? " " : "",buf,get_arg_desc(pa->type),
- pa_val(pa,tmp,LONGSTR-1),desc);
- sfree(desc);
- sfree(tmp);
-
- tmp = wrap_lines(buf2,78,28,FALSE);
-
- sfree(buf2);
-
- return tmp;
+ char buf[LONGSTR], *buf2, *tmp, *desc;
+
+ snew(buf2, LONGSTR+strlen(pa->desc));
+ snew(tmp, LONGSTR+strlen(pa->desc));
+
+ if (pa->type == etBOOL)
+ {
+ sprintf(buf, "-[no]%s", pa->option+1);
+ }
+ else
+ {
+ strcpy(buf, pa->option);
+ }
+ desc = check_tty(pa->desc);
+ if (strlen(buf) > ((OPTLEN+TYPELEN)-max(strlen(get_arg_desc(pa->type)), 4)))
+ {
+ sprintf(buf2, "%s%s %-6s %-6s %-s\n",
+ bLeadingSpace ? " " : "", buf,
+ get_arg_desc(pa->type), pa_val(pa, tmp, LONGSTR-1), desc);
+ }
+ else if (strlen(buf) > OPTLEN)
+ {
+ /* so type can be 3 or 4 char's, this fits in the %4s */
+ sprintf(buf2, "%s%-14s %-4s %-6s %-s\n",
+ bLeadingSpace ? " " : "", buf, get_arg_desc(pa->type),
+ pa_val(pa, tmp, LONGSTR-1), desc);
+ }
+ else
+ {
+ sprintf(buf2, "%s%-12s %-6s %-6s %-s\n",
+ bLeadingSpace ? " " : "", buf, get_arg_desc(pa->type),
+ pa_val(pa, tmp, LONGSTR-1), desc);
+ }
+ sfree(desc);
+ sfree(tmp);
+
+ tmp = wrap_lines(buf2, 78, 28, FALSE);
+
+ sfree(buf2);
+
+ return tmp;
}
-void print_pargs(FILE *fp, int npargs,t_pargs pa[],gmx_bool bLeadingSpace)
+void print_pargs(FILE *fp, int npargs, t_pargs pa[], gmx_bool bLeadingSpace)
{
- gmx_bool bShowHidden;
- char buf[32],buf2[256],tmp[256];
- char *wdesc;
- int i;
-
- /* Cannot call opt2parg_bSet here, because it crashes when the option
- * is not in the list (mdrun)
- */
- bShowHidden = FALSE;
- for(i=0; (i<npargs); i++)
- if ((strcmp(pa[i].option,"-hidden")==0) && (pa[i].bSet))
- bShowHidden = TRUE;
-
- if (npargs > 0) {
- fprintf(fp,"%s%-12s %-6s %-6s %-s\n",
- bLeadingSpace ? " " : "","Option","Type","Value","Description");
- fprintf(fp,"%s------------------------------------------------------\n",
- bLeadingSpace ? " " : "");
- for(i=0; (i<npargs); i++) {
- if (bShowHidden || !is_hidden(&pa[i])) {
- wdesc = pargs_print_line(&pa[i],bLeadingSpace);
- fprintf(fp,"%s",wdesc);
- sfree(wdesc);
- }
+ gmx_bool bShowHidden;
+ char buf[32], buf2[256], tmp[256];
+ char *wdesc;
+ int i;
+
+ /* Cannot call opt2parg_bSet here, because it crashes when the option
+ * is not in the list (mdrun)
+ */
+ bShowHidden = FALSE;
+ for (i = 0; (i < npargs); i++)
+ {
+ if ((strcmp(pa[i].option, "-hidden") == 0) && (pa[i].bSet))
+ {
+ bShowHidden = TRUE;
+ }
+ }
+
+ if (npargs > 0)
+ {
+ fprintf(fp, "%s%-12s %-6s %-6s %-s\n",
+ bLeadingSpace ? " " : "", "Option", "Type", "Value", "Description");
+ fprintf(fp, "%s------------------------------------------------------\n",
+ bLeadingSpace ? " " : "");
+ for (i = 0; (i < npargs); i++)
+ {
+ if (bShowHidden || !is_hidden(&pa[i]))
+ {
+ wdesc = pargs_print_line(&pa[i], bLeadingSpace);
+ fprintf(fp, "%s", wdesc);
+ sfree(wdesc);
+ }
+ }
+ fprintf(fp, "\n");
}
- fprintf(fp,"\n");
- }
}
-void pr_enums(FILE *fp, int npargs,t_pargs pa[], int shell)
+void pr_enums(FILE *fp, int npargs, t_pargs pa[], int shell)
{
- int i,j;
-
- switch (shell) {
- case eshellCSH:
- for (i=0; i<npargs; i++)
- if (pa[i].type==etENUM) {
- fprintf(fp," \"n/%s/(",pa[i].option);
- for(j=1; pa[i].u.c[j]; j++)
- fprintf(fp," %s",pa[i].u.c[j]);
- fprintf(fp,")/\"");
- }
- break;
- case eshellBASH:
- for (i=0; i<npargs; i++)
- if (pa[i].type==etENUM) {
- fprintf(fp,"%s) COMPREPLY=( $(compgen -W '",pa[i].option);
- for(j=1; pa[i].u.c[j]; j++)
- fprintf(fp," %s",pa[i].u.c[j]);
- fprintf(fp," ' -- $c ));;\n");
- }
- break;
- case eshellZSH:
- for (i=0; i<npargs; i++)
- if (pa[i].type==etENUM) {
- fprintf(fp,"- 'c[-1,%s]' -s \"", pa[i].option);
- for(j=1; pa[i].u.c[j]; j++)
- fprintf(fp," %s",pa[i].u.c[j]);
- fprintf(fp,"\" ");
- }
- break;
- }
-}
+ int i, j;
+ switch (shell)
+ {
+ case eshellCSH:
+ for (i = 0; i < npargs; i++)
+ {
+ if (pa[i].type == etENUM)
+ {
+ fprintf(fp, " \"n/%s/(", pa[i].option);
+ for (j = 1; pa[i].u.c[j]; j++)
+ {
+ fprintf(fp, " %s", pa[i].u.c[j]);
+ }
+ fprintf(fp, ")/\"");
+ }
+ }
+ break;
+ case eshellBASH:
+ for (i = 0; i < npargs; i++)
+ {
+ if (pa[i].type == etENUM)
+ {
+ fprintf(fp, "%s) COMPREPLY=( $(compgen -W '", pa[i].option);
+ for (j = 1; pa[i].u.c[j]; j++)
+ {
+ fprintf(fp, " %s", pa[i].u.c[j]);
+ }
+ fprintf(fp, " ' -- $c ));;\n");
+ }
+ }
+ break;
+ case eshellZSH:
+ for (i = 0; i < npargs; i++)
+ {
+ if (pa[i].type == etENUM)
+ {
+ fprintf(fp, "- 'c[-1,%s]' -s \"", pa[i].option);
+ for (j = 1; pa[i].u.c[j]; j++)
+ {
+ fprintf(fp, " %s", pa[i].u.c[j]);
+ }
+ fprintf(fp, "\" ");
+ }
+ }
+ break;
+ }
+}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff