* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#include "filenm.h"
+#include "gmxpre.h"
-#include "config.h"
+#include "filenm.h"
#include <stdio.h>
#include <string.h>
#include "gromacs/legacyheaders/macros.h"
#include "gromacs/legacyheaders/types/commrec.h"
-
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/fatalerror.h"
#ifdef USE_XDR
efXTC, efTRR, efCPT,
#endif
- efTRJ, efGRO, efG96, efPDB, efTNG
+ efGRO, efG96, efPDB, efTNG
};
#define NTRXS asize(trxs)
#ifdef USE_XDR
efXTC, efTRR,
#endif
- efTRJ, efGRO, efG96, efPDB, efTNG
+ efGRO, efG96, efPDB, efTNG
};
#define NTROS asize(tros)
#ifdef USE_XDR
efTRR, efCPT,
#endif
- efTRJ, efTNG
+ efTNG
};
#define NTRNS asize(trns)
static const int stxs[] =
{
- efGRO, efG96, efPDB, efBRK, efENT, efESP,
+ efGRO, efG96, efPDB, efBRK, efENT, efESP
#ifdef USE_XDR
- efTPR,
+ , efTPR
#endif
- efTPB, efTPA
};
#define NSTXS asize(stxs)
-static const int tpxs[] =
-{
-#ifdef USE_XDR
- efTPR,
-#endif
- efTPB, efTPA
-};
-#define NTPXS asize(tpxs)
-
static const int tpss[] =
{
#ifdef USE_XDR
efTPR,
#endif
- efTPB, efTPA, efGRO, efG96, efPDB, efBRK, efENT
+ efGRO, efG96, efPDB, efBRK, efENT
};
#define NTPSS asize(tpss)
{ eftGEN, ".???", "traj", NULL,
"Full precision trajectory", NTRNS, trns },
{ eftXDR, ".trr", "traj", NULL, "Trajectory in portable xdr format" },
- { eftBIN, ".trj", "traj", NULL, "Trajectory file (architecture specific)" },
{ eftGEN, ".???", "traj_comp", NULL,
"Compressed trajectory (tng format or portable xdr format)", NTRCOMPRESSED, trcompressed},
{ eftXDR, ".xtc", "traj", NULL,
{ eftASC, ".ndx", "index", "-n", "Index file", },
{ eftASC, ".top", "topol", "-p", "Topology file"},
{ eftASC, ".itp", "topinc", NULL, "Include file for topology"},
- { eftGEN, ".???", "topol", "-s", "Run input file", NTPXS, tpxs },
{ eftGEN, ".???", "topol", "-s", "Structure+mass(db)", NTPSS, tpss },
{ eftXDR, ".tpr", "topol", "-s", "Portable xdr run input file"},
- { eftASC, ".tpa", "topol", "-s", "Ascii run input file"},
- { eftBIN, ".tpb", "topol", "-s", "Binary run input file"},
{ eftASC, ".tex", "doc", "-o", "LaTeX file"},
{ eftASC, ".rtp", "residue", NULL, "Residue Type file used by pdb2gmx" },
{ eftASC, ".atp", "atomtp", NULL, "Atomtype file used by pdb2gmx" },
return "sto";
case efSTX:
return "stx";
- case efTPX:
- return "tpx";
case efTPS:
return "tps";
default:
*extpos = '\0';
sprintf(newname, "%s%s.%s", buf, suffix, extpos + 1);
sfree(fnm[i].fns[j]);
- fnm[i].fns[j] = strdup(newname);
+ fnm[i].fns[j] = gmx_strdup(newname);
}
}
}
ret[i] = tfn[i]; /* just directly copy all non-string fields */
if (tfn[i].opt)
{
- ret[i].opt = strdup(tfn[i].opt);
+ ret[i].opt = gmx_strdup(tfn[i].opt);
}
else
{
if (tfn[i].fn)
{
- ret[i].fn = strdup(tfn[i].fn);
+ ret[i].fn = gmx_strdup(tfn[i].fn);
}
else
{
snew(ret[i].fns, tfn[i].nfiles);
for (j = 0; j < tfn[i].nfiles; j++)
{
- ret[i].fns[j] = strdup(tfn[i].fns[j]);
+ ret[i].fns[j] = gmx_strdup(tfn[i].fns[j]);
}
}
}