X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Ftools%2Fdump.c;h=c87fe831ce544f51ffb63b6af7bcde9c94218d27;hb=b2b75d45c43c98cf1362e0125381bfc6f0a85782;hp=86ba6ff95a46703c7d9be263991382d7fe51a9f7;hpb=cb466e44535ac45f2ee8341dcae39207b5813abe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/tools/dump.c b/src/gromacs/tools/dump.c index 86ba6ff95a..c87fe831ce 100644 --- a/src/gromacs/tools/dump.c +++ b/src/gromacs/tools/dump.c @@ -409,25 +409,20 @@ static void list_tng(const char gmx_unused *fn) void list_trx(const char *fn) { - int ftp; - - ftp = fn2ftp(fn); - if (ftp == efXTC) - { - list_xtc(fn); - } - else if ((ftp == efTRR) || (ftp == efTRJ)) - { - list_trn(fn); - } - else if (ftp == efTNG) - { - list_tng(fn); - } - else + switch (fn2ftp(fn)) { - fprintf(stderr, "File %s is of an unsupported type. Try using the command\n 'less %s'\n", - fn, fn); + case efXTC: + list_xtc(fn); + break; + case efTRR: + list_trn(fn); + break; + case efTNG: + list_tng(fn); + break; + default: + fprintf(stderr, "File %s is of an unsupported type. Try using the command\n 'less %s'\n", + fn, fn); } } @@ -608,9 +603,9 @@ static void list_mtx(const char *fn) int gmx_dump(int argc, char *argv[]) { const char *desc[] = { - "[THISMODULE] reads a run input file ([TT].tpa[tt]/[TT].tpr[tt]/[TT].tpb[tt]),", - "a trajectory ([TT].trj[tt]/[TT].trr[tt]/[TT].xtc[tt]), an energy", - "file ([TT].ene[tt]/[TT].edr[tt]), or a checkpoint file ([TT].cpt[tt])", + "[THISMODULE] reads a run input file ([TT].tpr[tt]),", + "a trajectory ([TT].trr[tt]/[TT].xtc[tt]/[TT]/tng[tt]), an energy", + "file ([TT].edr[tt]) or a checkpoint file ([TT].cpt[tt])", "and prints that to standard output in a readable format.", "This program is essential for checking your run input file in case of", "problems.[PAR]", @@ -622,7 +617,7 @@ int gmx_dump(int argc, char *argv[]) "Position restraint output from -sys -s is broken" }; t_filenm fnm[] = { - { efTPX, "-s", NULL, ffOPTRD }, + { efTPR, "-s", NULL, ffOPTRD }, { efTRX, "-f", NULL, ffOPTRD }, { efEDR, "-e", NULL, ffOPTRD }, { efCPT, NULL, NULL, ffOPTRD }, @@ -648,9 +643,9 @@ int gmx_dump(int argc, char *argv[]) } - if (ftp2bSet(efTPX, NFILE, fnm)) + if (ftp2bSet(efTPR, NFILE, fnm)) { - list_tpx(ftp2fn(efTPX, NFILE, fnm), bShowNumbers, + list_tpx(ftp2fn(efTPR, NFILE, fnm), bShowNumbers, ftp2fn_null(efMDP, NFILE, fnm), bSysTop); } else if (ftp2bSet(efTRX, NFILE, fnm))