static int get_einp(int *ninp, t_inpfile **inp, const char *name)
{
int i;
int notfound = FALSE;
i = search_einp(*ninp, *inp, name);
if (i == -1)
{
notfound = TRUE;
i = (*ninp)++;
srenew(*inp, (*ninp));
(*inp)[i].name = gmx_strdup(name);
(*inp)[i].bSet = TRUE;
}
(*inp)[i].count = (*inp)[0].inp_count++;
(*inp)[i].bSet = TRUE;
if (debug)
{
fprintf(debug, "Inp %d = %s\n", (*inp)[i].count, (*inp)[i].name);
}
/*if (i == (*ninp)-1)*/
if (notfound)
{
return -1;
}
else
{
return i;
}
}
static int get_einp(int *ninp,t_inpfile **inp,const char *name)
{
int i;
int notfound=FALSE;
char warn_buf[STRLEN];
/* if (inp==NULL)
return -1;
for(i=0; (i<(*ninp)); i++)
if (gmx_strcasecmp_min(name,(*inp)[i].name) == 0)
break;
if (i == (*ninp)) {*/
i=search_einp(*ninp, *inp, name);
if (i == -1)
{
notfound=TRUE;
i=(*ninp)++;
srenew(*inp,(*ninp));
(*inp)[i].name=strdup(name);
(*inp)[i].bSet=TRUE;
}
(*inp)[i].count = (*inp)[0].inp_count++;
(*inp)[i].bSet = TRUE;
if (debug)
fprintf(debug,"Inp %d = %s\n",(*inp)[i].count,(*inp)[i].name);
/*if (i == (*ninp)-1)*/
if (notfound)
return -1;
else
return i;
}
void mark_einp_set(int ninp, t_inpfile *inp, const char *name)
{
int i = search_einp(ninp, inp, name);
if (i != -1)
{
inp[i].count = inp[0].inp_count++;
inp[i].bSet = TRUE;
}
}
t_inpfile *read_inpfile(const char *fn, int *ninp,
char **cppopts,
warninp_t wi)
{
FILE *in;
char buf[STRLEN], lbuf[STRLEN], rbuf[STRLEN], warn_buf[STRLEN];
char *ptr, *cptr;
t_inpfile *inp = NULL;
int nin, lc, i, j, k;
/* setting cppopts from command-line options would be cooler */
gmx_bool allow_override = FALSE;
if (debug)
{
fprintf(debug, "Reading MDP file %s\n", fn);
}
in = ffopen(fn, "r");
nin = lc = 0;
do
{
ptr = fgets2(buf, STRLEN-1, in);
lc++;
set_warning_line(wi, fn, lc);
if (ptr)
{
/* Strip comment */
if ((cptr = strchr(buf, COMMENTSIGN)) != NULL)
{
*cptr = '\0';
}
/* Strip spaces */
trim(buf);
for (j = 0; (buf[j] != '=') && (buf[j] != '\0'); j++)
{
;
}
if (buf[j] == '\0')
{
if (j > 0)
{
if (debug)
{
fprintf(debug, "No = on line %d in file %s, ignored\n", lc, fn);
}
}
}
else
{
for (i = 0; (i < j); i++)
{
lbuf[i] = buf[i];
}
lbuf[i] = '\0';
trim(lbuf);
if (lbuf[0] == '\0')
{
if (debug)
{
fprintf(debug, "Empty left hand side on line %d in file %s, ignored\n", lc, fn);
}
}
else
{
for (i = j+1, k = 0; (buf[i] != '\0'); i++, k++)
{
rbuf[k] = buf[i];
}
rbuf[k] = '\0';
trim(rbuf);
if (rbuf[0] == '\0')
{
if (debug)
{
fprintf(debug, "Empty right hand side on line %d in file %s, ignored\n", lc, fn);
}
}
else
{
/* Now finally something sensible */
int found_index;
/* first check whether we hit the 'multiple_entries' option */
if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptName], lbuf) == 0)
{
/* we now check whether to allow overrides from here or not */
if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptNo], rbuf) == 0)
{
allow_override = FALSE;
}
else if (gmx_strcasecmp_min(eMultentOpt_names[eMultentOptLast], rbuf) == 0)
{
allow_override = TRUE;
}
else
{
sprintf(warn_buf,
"Parameter \"%s\" should either be %s or %s\n",
lbuf,
eMultentOpt_names[eMultentOptNo],
eMultentOpt_names[eMultentOptLast]);
warning_error(wi, warn_buf);
}
}
else
{
/* it is a regular option; check for duplicates */
found_index = search_einp(nin, inp, lbuf);
if (found_index == -1)
{
/* add a new item */
srenew(inp, ++nin);
inp[nin-1].inp_count = 1;
inp[nin-1].count = 0;
inp[nin-1].bObsolete = FALSE;
inp[nin-1].bSet = FALSE;
inp[nin-1].name = strdup(lbuf);
inp[nin-1].value = strdup(rbuf);
}
else
{
if (!allow_override)
{
sprintf(warn_buf,
"Parameter \"%s\" doubly defined (and multiple assignments not allowed)\n",
lbuf);
warning_error(wi, warn_buf);
}
else
{
/* override */
sfree(inp[found_index].value);
inp[found_index].value = strdup(rbuf);
sprintf(warn_buf,
"Overriding existing parameter \"%s\" with value \"%s\"\n",
lbuf, rbuf);
warning_note(wi, warn_buf);
}
}
}
}
}
}
}
}
while (ptr);
ffclose(in);
if (debug)
{
fprintf(debug, "Done reading MDP file, there were %d entries in there\n",
nin);
}
*ninp = nin;
return inp;
}
