*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
enum
{
- eftASC, eftXDR, eftTNG, eftGEN, eftNR
+ eftASC,
+ eftXDR,
+ eftTNG,
+ eftGEN,
+ eftNR
};
/* To support multiple file types with one general (eg TRX) we have
* these arrays.
*/
-static const int trxs[] =
-{
- efXTC, efTRR, efCPT,
- efGRO, efG96, efPDB, efTNG
-};
+static const int trxs[] = { efXTC, efTRR, efCPT, efGRO, efG96, efPDB, efTNG };
#define NTRXS asize(trxs)
-static const int trcompressed[] =
-{
- efXTC,
- efTNG
-};
+static const int trcompressed[] = { efXTC, efTNG };
#define NTRCOMPRESSED asize(trcompressed)
-static const int tros[] =
-{
- efXTC, efTRR,
- efGRO, efG96, efPDB, efTNG
-};
+static const int tros[] = { efXTC, efTRR, efGRO, efG96, efPDB, efTNG };
#define NTROS asize(tros)
-static const int trns[] =
-{
- efTRR, efCPT,
- efTNG
-};
+static const int trns[] = { efTRR, efCPT, efTNG };
#define NTRNS asize(trns)
-static const int stos[] =
-{ efGRO, efG96, efPDB, efBRK, efENT, efESP };
+static const int stos[] = { efGRO, efG96, efPDB, efBRK, efENT, efESP };
#define NSTOS asize(stos)
-static const int stxs[] =
-{
- efGRO, efG96, efPDB, efBRK, efENT, efESP,
- efTPR
-};
+static const int stxs[] = { efGRO, efG96, efPDB, efBRK, efENT, efESP, efTPR };
#define NSTXS asize(stxs)
-static const int tpss[] =
-{
- efTPR,
- efGRO, efG96, efPDB, efBRK, efENT
-};
+static const int tpss[] = { efTPR, efGRO, efG96, efPDB, efBRK, efENT };
#define NTPSS asize(tpss)
typedef struct // NOLINT(clang-analyzer-optin.performance.Padding)
{
int ftype;
- const char *ext;
- const char *defnm;
- const char *defopt;
- const char *descr;
+ const char* ext;
+ const char* defnm;
+ const char* defopt;
+ const char* descr;
int ntps;
- const int *tps;
+ const int* tps;
} t_deffile;
/* this array should correspond to the enum in filetypes.h */
-static const t_deffile deffile[efNR] =
-{
+static const t_deffile deffile[efNR] = {
{ eftASC, ".mdp", "grompp", "-f", "grompp input file with MD parameters" },
{ eftGEN, ".???", "traj", "-f", "Trajectory", NTRXS, trxs },
{ eftGEN, ".???", "trajout", "-f", "Trajectory", NTROS, tros },
- { eftGEN, ".???", "traj", nullptr,
- "Full precision trajectory", NTRNS, trns },
+ { eftGEN, ".???", "traj", nullptr, "Full precision trajectory", NTRNS, trns },
{ eftXDR, ".trr", "traj", nullptr, "Trajectory in portable xdr format" },
{ eftGEN, ".???", "traj_comp", nullptr,
- "Compressed trajectory (tng format or portable xdr format)", NTRCOMPRESSED, trcompressed},
- { eftXDR, ".xtc", "traj", nullptr,
- "Compressed trajectory (portable xdr format): xtc" },
- { eftTNG, ".tng", "traj", nullptr,
- "Trajectory file (tng format)" },
- { eftXDR, ".edr", "ener", nullptr, "Energy file"},
+ "Compressed trajectory (tng format or portable xdr format)", NTRCOMPRESSED, trcompressed },
+ { eftXDR, ".xtc", "traj", nullptr, "Compressed trajectory (portable xdr format): xtc" },
+ { eftTNG, ".tng", "traj", nullptr, "Trajectory file (tng format)" },
+ { eftXDR, ".edr", "ener", nullptr, "Energy file" },
{ eftGEN, ".???", "conf", "-c", "Structure file", NSTXS, stxs },
{ eftGEN, ".???", "out", "-o", "Structure file", NSTOS, stos },
{ eftASC, ".gro", "conf", "-c", "Coordinate file in Gromos-87 format" },
{ eftASC, ".g96", "conf", "-c", "Coordinate file in Gromos-96 format" },
- { eftASC, ".pdb", "eiwit", "-f", "Protein data bank file"},
- { eftASC, ".brk", "eiwit", "-f", "Brookhaven data bank file"},
+ { eftASC, ".pdb", "eiwit", "-f", "Protein data bank file" },
+ { eftASC, ".brk", "eiwit", "-f", "Brookhaven data bank file" },
{ eftASC, ".ent", "eiwit", "-f", "Entry in the protein date bank" },
{ eftASC, ".esp", "conf", "-f", "Coordinate file in Espresso format" },
- { eftASC, ".pqr", "state", "-o", "Coordinate file for MEAD"},
- { eftXDR, ".cpt", "state", "-cp", "Checkpoint file"},
- { eftASC, ".log", "run", "-l", "Log file"},
- { eftASC, ".xvg", "graph", "-o", "xvgr/xmgr file"},
- { eftASC, ".out", "hello", "-o", "Generic output file"},
- { eftASC, ".ndx", "index", "-n", "Index file", },
- { eftASC, ".top", "topol", "-p", "Topology file"},
- { eftASC, ".itp", "topinc", nullptr, "Include file for topology"},
+ { eftASC, ".pqr", "state", "-o", "Coordinate file for MEAD" },
+ { eftXDR, ".cpt", "state", "-cp", "Checkpoint file" },
+ { eftASC, ".log", "run", "-l", "Log file" },
+ { eftASC, ".xvg", "graph", "-o", "xvgr/xmgr file" },
+ { eftASC, ".out", "hello", "-o", "Generic output file" },
+ {
+ eftASC,
+ ".ndx",
+ "index",
+ "-n",
+ "Index file",
+ },
+ { eftASC, ".top", "topol", "-p", "Topology file" },
+ { eftASC, ".itp", "topinc", nullptr, "Include file for topology" },
{ eftGEN, ".???", "topol", "-s", "Structure+mass(db)", NTPSS, tpss },
- { eftXDR, ".tpr", "topol", "-s", "Portable xdr run input file"},
- { eftASC, ".tex", "doc", "-o", "LaTeX file"},
+ { eftXDR, ".tpr", "topol", "-s", "Portable xdr run input file" },
+ { eftASC, ".tex", "doc", "-o", "LaTeX file" },
{ eftASC, ".rtp", "residue", nullptr, "Residue Type file used by pdb2gmx" },
{ eftASC, ".atp", "atomtp", nullptr, "Atomtype file used by pdb2gmx" },
- { eftASC, ".hdb", "polar", nullptr, "Hydrogen data base"},
- { eftASC, ".dat", "nnnice", nullptr, "Generic data file"},
- { eftASC, ".dlg", "user", nullptr, "Dialog Box data for ngmx"},
+ { eftASC, ".hdb", "polar", nullptr, "Hydrogen data base" },
+ { eftASC, ".dat", "nnnice", nullptr, "Generic data file" },
+ { eftASC, ".dlg", "user", nullptr, "Dialog Box data for ngmx" },
{ eftASC, ".map", "ss", nullptr, "File that maps matrix data to colors" },
{ eftASC, ".eps", "plot", nullptr, "Encapsulated PostScript (tm) file" },
- { eftASC, ".mat", "ss", nullptr, "Matrix Data file"},
- { eftASC, ".m2p", "ps", nullptr, "Input file for mat2ps"},
- { eftXDR, ".mtx", "hessian", "-m", "Hessian matrix"},
- { eftASC, ".edi", "sam", nullptr, "ED sampling input"},
- { eftASC, ".cub", "pot", nullptr, "Gaussian cube file" },
+ { eftASC, ".mat", "ss", nullptr, "Matrix Data file" },
+ { eftASC, ".m2p", "ps", nullptr, "Input file for mat2ps" },
+ { eftXDR, ".mtx", "hessian", "-m", "Hessian matrix" },
+ { eftASC, ".edi", "sam", nullptr, "ED sampling input" },
+ { eftASC, ".cub", "pot", nullptr, "Gaussian cube file" },
{ eftASC, ".xpm", "root", nullptr, "X PixMap compatible matrix file" },
{ eftASC, "", "rundir", nullptr, "Run directory" }
};
-const char *ftp2ext(int ftp)
+const char* ftp2ext(int ftp)
{
if ((0 <= ftp) && (ftp < efNR))
{
}
}
-const char *ftp2ext_generic(int ftp)
+const char* ftp2ext_generic(int ftp)
{
if ((0 <= ftp) && (ftp < efNR))
{
switch (ftp)
{
- case efTRX:
- return "trx";
- case efTRN:
- return "trn";
- case efSTO:
- return "sto";
- case efSTX:
- return "stx";
- case efTPS:
- return "tps";
- default:
- return ftp2ext(ftp);
+ case efTRX: return "trx";
+ case efTRN: return "trn";
+ case efSTO: return "sto";
+ case efSTX: return "stx";
+ case efTPS: return "tps";
+ default: return ftp2ext(ftp);
}
}
else
}
}
-const char *ftp2ext_with_dot(int ftp)
+const char* ftp2ext_with_dot(int ftp)
{
if ((0 <= ftp) && (ftp < efNR))
{
}
}
-const int *ftp2generic_list(int ftp)
+const int* ftp2generic_list(int ftp)
{
if ((0 <= ftp) && (ftp < efNR))
{
}
}
-const char *ftp2desc(int ftp)
+const char* ftp2desc(int ftp)
{
if ((0 <= ftp) && (ftp < efNR))
{
return FALSE;
}
-const char *ftp2defnm(int ftp)
+const char* ftp2defnm(int ftp)
{
if ((0 <= ftp) && (ftp < efNR))
{
}
}
-const char *ftp2defopt(int ftp)
+const char* ftp2defopt(int ftp)
{
if ((0 <= ftp) && (ftp < efNR))
{
}
}
-int fn2ftp(const char *fn)
+int fn2ftp(const char* fn)
{
int i, len;
- const char *feptr;
- const char *eptr;
+ const char* feptr;
+ const char* eptr;
if (!fn)
{
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