static gmx_bool do_trnheader(t_fileio *fio, gmx_bool bRead, t_trnheader *sh, gmx_bool *bOK)
{
int magic = GROMACS_MAGIC;
static gmx_bool bFirst = TRUE;
char buf[256];
*bOK = TRUE;
gmx_fio_checktype(fio);
if (!gmx_fio_do_int(fio, magic) || magic != GROMACS_MAGIC)
{
return FALSE;
}
if (bRead)
{
*bOK = *bOK && gmx_fio_do_string(fio, buf);
if (bFirst)
{
fprintf(stderr, "trn version: %s ", buf);
}
}
else
{
sprintf(buf, "GMX_trn_file");
*bOK = *bOK && gmx_fio_do_string(fio, buf);
}
*bOK = *bOK && gmx_fio_do_int(fio, sh->ir_size);
*bOK = *bOK && gmx_fio_do_int(fio, sh->e_size);
*bOK = *bOK && gmx_fio_do_int(fio, sh->box_size);
*bOK = *bOK && gmx_fio_do_int(fio, sh->vir_size);
*bOK = *bOK && gmx_fio_do_int(fio, sh->pres_size);
*bOK = *bOK && gmx_fio_do_int(fio, sh->top_size);
*bOK = *bOK && gmx_fio_do_int(fio, sh->sym_size);
*bOK = *bOK && gmx_fio_do_int(fio, sh->x_size);
*bOK = *bOK && gmx_fio_do_int(fio, sh->v_size);
*bOK = *bOK && gmx_fio_do_int(fio, sh->f_size);
*bOK = *bOK && gmx_fio_do_int(fio, sh->natoms);
if (!*bOK)
{
return *bOK;
}
sh->bDouble = (nFloatSize(sh) == sizeof(double));
gmx_fio_setprecision(fio, sh->bDouble);
if (bRead && bFirst)
{
fprintf(stderr, "(%s precision)\n", sh->bDouble ? "double" : "single");
bFirst = FALSE;
}
*bOK = *bOK && gmx_fio_do_int(fio, sh->step);
*bOK = *bOK && gmx_fio_do_int(fio, sh->nre);
*bOK = *bOK && gmx_fio_do_real(fio, sh->t);
*bOK = *bOK && gmx_fio_do_real(fio, sh->lambda);
return *bOK;
}
static bool do_trnheader(int fp,bool bRead,t_trnheader *sh, bool *bOK)
{
const int magic=GROMACS_MAGIC;
const char *version = "GMX_trn_file";
static bool bFirst=TRUE;
char buf[256];
*bOK=TRUE;
gmx_fio_select(fp);
if (!do_int(magic))
return FALSE;
if (bRead) {
*bOK = *bOK && do_string(buf);
if (bFirst)
fprintf(stderr,"trn version: %s ",buf);
}
else
*bOK = *bOK && do_string(version);
*bOK = *bOK && do_int(sh->ir_size);
*bOK = *bOK && do_int(sh->e_size);
*bOK = *bOK && do_int(sh->box_size);
*bOK = *bOK && do_int(sh->vir_size);
*bOK = *bOK && do_int(sh->pres_size);
*bOK = *bOK && do_int(sh->top_size);
*bOK = *bOK && do_int(sh->sym_size);
*bOK = *bOK && do_int(sh->x_size);
*bOK = *bOK && do_int(sh->v_size);
*bOK = *bOK && do_int(sh->f_size);
*bOK = *bOK && do_int(sh->natoms);
if (!*bOK) return *bOK;
sh->bDouble = (nFloatSize(sh) == sizeof(double));
gmx_fio_setprecision(fp,sh->bDouble);
if (bRead && bFirst) {
fprintf(stderr,"(%s precision)\n",sh->bDouble ? "double" : "single");
bFirst = FALSE;
}
*bOK = *bOK && do_int(sh->step);
*bOK = *bOK && do_int(sh->nre);
*bOK = *bOK && do_real(sh->t);
*bOK = *bOK && do_real(sh->lambda);
return *bOK;
}
static int do_trnheader(XDRFILE *xd,mybool bRead,t_trnheader *sh)
{
int magic=GROMACS_MAGIC;
int nflsz,slen,result;
char *version = "GMX_trn_file";
char buf[BUFSIZE];
if (xdrfile_read_int(&magic,1,xd) != 1)
return exdrINT;
if (bRead)
{
if (xdrfile_read_int(&slen,1,xd) != 1)
return exdrINT;
if (slen != strlen(version)+1)
return exdrSTRING;
if (xdrfile_read_string(buf,BUFSIZE,xd) <= 0)
return exdrSTRING;
}
else
{
slen = strlen(version)+1;
if (xdrfile_read_int(&slen,1,xd) != 1)
return exdrINT;
if (xdrfile_write_string(version,xd) != (strlen(version)+1) )
return exdrSTRING;
}
if (xdrfile_read_int(&sh->ir_size,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->e_size,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->box_size,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->vir_size,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->pres_size,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->top_size,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->sym_size,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->x_size,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->v_size,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->f_size,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->natoms,1,xd) != 1)
return exdrINT;
if ((result = nFloatSize(sh,&nflsz)) != exdrOK)
return result;
sh->bDouble = (nflsz == sizeof(double));
if (xdrfile_read_int(&sh->step,1,xd) != 1)
return exdrINT;
if (xdrfile_read_int(&sh->nre,1,xd) != 1)
return exdrINT;
if (sh->bDouble)
{
if (xdrfile_read_double(&sh->td,1,xd) != 1)
return exdrDOUBLE;
sh->tf = sh->td;
if (xdrfile_read_double(&sh->lambdad,1,xd) != 1)
return exdrDOUBLE;
sh->lambdaf = sh->lambdad;
}
else
{
if (xdrfile_read_float(&sh->tf,1,xd) != 1)
return exdrFLOAT;
sh->td = sh->tf;
if (xdrfile_read_float(&sh->lambdaf,1,xd) != 1)
return exdrFLOAT;
sh->lambdad = sh->lambdaf;
}
return exdrOK;
}
