// bubble sort
void CShipTexturesDlg::sort_textures(int test)
{
int i, j, str_check = 0;
for (i = 0; i < texture_count; i++)
{
for (j = 0; j < i; j++)
{
switch(test)
{
case SORT_OLD:
str_check = stricmp(old_texture_name[i], old_texture_name[j]);
break;
case SORT_NEW:
str_check = stricmp(new_texture_name[i], new_texture_name[j]);
break;
default:
Int3();
}
if (str_check < 0)
{
// swap old
swap_strings(old_texture_name[i], old_texture_name[j]);
// swap new
swap_strings(new_texture_name[i], new_texture_name[j]);
}
}
}
}
void
choose_ff(const char *ffsel,
char *forcefield, int ff_maxlen,
char *ffdir, int ffdir_maxlen)
{
int nff;
char **ffdirs,**ffs,**ffs_dir,*ptr;
int i,j,sel,cwdsel,nfound;
char buf[STRLEN],**desc;
FILE *fp;
char *pret;
nff = fflib_search_file_in_dirend(fflib_forcefield_itp(),
fflib_forcefield_dir_ext(),
&ffdirs);
if (nff == 0)
{
gmx_fatal(FARGS,"No force fields found (files with name '%s' in subdirectories ending on '%s')",
fflib_forcefield_itp(),fflib_forcefield_dir_ext());
}
/* Replace with unix path separators */
if(DIR_SEPARATOR!='/')
{
for(i=0;i<nff;i++)
{
while( (ptr=strchr(ffdirs[i],DIR_SEPARATOR))!=NULL )
{
*ptr='/';
}
}
}
/* Store the force field names in ffs */
snew(ffs,nff);
snew(ffs_dir,nff);
for(i=0; i<nff; i++)
{
/* Remove the path from the ffdir name - use our unix standard here! */
ptr = strrchr(ffdirs[i],'/');
if (ptr == NULL)
{
ffs[i] = strdup(ffdirs[i]);
ffs_dir[i] = low_gmxlibfn(ffdirs[i],FALSE,FALSE);
if (ffs_dir[i] == NULL)
{
gmx_fatal(FARGS,"Can no longer find file '%s'",ffdirs[i]);
}
}
else
{
ffs[i] = strdup(ptr+1);
ffs_dir[i] = strdup(ffdirs[i]);
}
ffs_dir[i][strlen(ffs_dir[i])-strlen(ffs[i])-1] = '\0';
/* Remove the extension from the ffdir name */
ffs[i][strlen(ffs[i])-strlen(fflib_forcefield_dir_ext())] = '\0';
}
if (ffsel != NULL)
{
sel = -1;
cwdsel = -1;
nfound = 0;
for(i=0; i<nff; i++)
{
if ( strcmp(ffs[i],ffsel)==0 )
{
/* Matching ff name */
sel = i;
nfound++;
if( strncmp(ffs_dir[i],".",1)==0 )
{
cwdsel = i;
}
}
}
if(cwdsel != -1)
{
sel = cwdsel;
}
if(nfound>1)
{
if(cwdsel!=-1)
{
fprintf(stderr,
"Force field '%s' occurs in %d places. pdb2gmx is using the one in the\n"
"current directory. Use interactive selection (not the -ff option) if\n"
"you would prefer a different one.\n",ffsel,nfound);
}
else
{
gmx_fatal(FARGS,
"Force field '%s' occurs in %d places, but not in the current directory.\n"
"Run without the -ff switch and select the force field interactively.",ffsel,nfound);
}
}
else if (nfound==0)
{
gmx_fatal(FARGS,"Could not find force field '%s' in current directory, install tree or GMXDATA path.",ffsel);
}
}
else if (nff > 1)
{
snew(desc,nff);
for(i=0; (i<nff); i++)
{
sprintf(buf,"%s%c%s%s%c%s",
ffs_dir[i],DIR_SEPARATOR,
ffs[i],fflib_forcefield_dir_ext(),DIR_SEPARATOR,
fflib_forcefield_doc());
if (gmx_fexist(buf))
{
/* We don't use fflib_open, because we don't want printf's */
fp = ffopen(buf,"r");
snew(desc[i],STRLEN);
get_a_line(fp,desc[i],STRLEN);
ffclose(fp);
}
else
{
desc[i] = strdup(ffs[i]);
}
}
/* Order force fields from the same dir alphabetically
* and put deprecated force fields at the end.
*/
for(i=0; (i<nff); i++)
{
for(j=i+1; (j<nff); j++)
{
if (strcmp(ffs_dir[i],ffs_dir[j]) == 0 &&
((desc[i][0] == '[' && desc[j][0] != '[') ||
((desc[i][0] == '[' || desc[j][0] != '[') &&
gmx_strcasecmp(desc[i],desc[j]) > 0)))
{
swap_strings(ffdirs,i,j);
swap_strings(ffs ,i,j);
swap_strings(desc ,i,j);
}
}
}
printf("\nSelect the Force Field:\n");
for(i=0; (i<nff); i++)
{
if (i == 0 || strcmp(ffs_dir[i-1],ffs_dir[i]) != 0)
{
if( strcmp(ffs_dir[i],".")==0 )
{
printf("From current directory:\n");
}
else
{
printf("From '%s':\n",ffs_dir[i]);
}
}
printf("%2d: %s\n",i+1,desc[i]);
sfree(desc[i]);
}
sfree(desc);
do
{
pret = fgets(buf,STRLEN,stdin);
if (pret != NULL)
{
sscanf(buf,"%d",&sel);
sel--;
}
}
while ( pret==NULL || (sel < 0) || (sel >= nff));
}
else
{
sel = 0;
}
if (strlen(ffs[sel]) >= (size_t)ff_maxlen)
{
gmx_fatal(FARGS,"Length of force field name (%d) >= maxlen (%d)",
strlen(ffs[sel]),ff_maxlen);
}
strcpy(forcefield,ffs[sel]);
if (strlen(ffdirs[sel]) >= (size_t)ffdir_maxlen)
{
gmx_fatal(FARGS,"Length of force field dir (%d) >= maxlen (%d)",
strlen(ffdirs[sel]),ffdir_maxlen);
}
strcpy(ffdir,ffdirs[sel]);
for(i=0; (i<nff); i++)
{
sfree(ffdirs[i]);
sfree(ffs[i]);
sfree(ffs_dir[i]);
}
sfree(ffdirs);
sfree(ffs);
sfree(ffs_dir);
}
