- Rename thanx() to gmx_thanx().
- Make it responsibility of the wrapper binary to call gmx_thanx(),
removing most existing calls.
- Remove unnecessary copyrite.h includes (many of them made unnecessary
by the above change).
- One fix in qm_gamess.c that caused uncrustify to not parse the file
correctly.
Change-Id: Ie74cdefa14f03b921f94d4b5931eb8e35a09f5af
list_trn(fn);
}
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
fprintf(stderr,"There were %d mismatches\n",nmiss);
fprintf(stderr,"Finished\n");
- thanx(stdout);
+ gmx_thanx(stdout);
return 0;
}
free_t_atoms(&useatoms,TRUE);
}
}
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
close_trj(status);
ffclose(out);
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
#include "typedefs.h"
#include "smalloc.h"
#include "macros.h"
-#include "copyrite.h"
#include "statutil.h"
#include "gmx_fatal.h"
#include "random.h"
#include "typedefs.h"
#include "smalloc.h"
#include "macros.h"
-#include "copyrite.h"
#include "statutil.h"
#include "gmx_fatal.h"
#include "random.h"
else
do_sims(NFILE,fnm,&ehp);
- thanx(stdout);
+ gmx_thanx(stdout);
return 0;
}
nframe,nmax+1,t_x,t_y,profile,0,tmax,
rgblo,rgbhi,&nlevels);
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
if ((m != mGuillot2001a))
ffclose(fp);
- thanx(stdout);
+ gmx_thanx(stdout);
return 0;
}
fnREF,bRef,cutoff,binwidth,mode,triangle,dtri,oenv);
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
}
ffclose(fp);
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
gmx_finalize_par();
if (MULTIMASTER(cr)) {
- thanx(stderr);
+ gmx_thanx(stderr);
}
/* Log file has to be closed in mdrunner if we are appending to it
ffclose(fp);
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
/* Thank the audience, as usual */
if (MASTER(cr))
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
do_view(ftp2fn(efXVG,NFILE,fnm),NULL);
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
gmx_fio_fclose(log);
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
#include <string>
#include <utility>
+#include "gromacs/legacyheaders/copyrite.h"
+
#include "gromacs/commandline/cmdlinemodule.h"
#include "gromacs/onlinehelp/helpformat.h"
#include "gromacs/onlinehelp/helpmanager.h"
return 2;
}
helpManager.writeCurrentTopic();
- fprintf(stderr, "\n");
return 0;
}
if (argc < 2)
{
impl_->helpModule_->printUsage();
+ gmx_thanx(stderr);
return 2;
}
module = impl_->findModuleByName(argv[1]);
{
fprintf(stderr, "Unknown command: '%s'\n\n", argv[1]);
impl_->helpModule_->printUsage();
+ gmx_thanx(stderr);
return 2;
}
- return module->second->run(argc - argOffset, argv + argOffset);
+ int rc = module->second->run(argc - argOffset, argv + argOffset);
+ gmx_thanx(stderr);
+ return rc;
}
} // namespace gmx
cluster_em_all(fp, npdbf, pdbf, opt2fn("-ox", NFILE, fnm),
bFree, bRMS, cutoff);
- thanx(fp);
+ gmx_thanx(fp);
ffclose(fp);
- thanx(stdout);
-
return 0;
}
#include "gmx_fatal.h"
#include "vec.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
view_all(oenv, NFILE, fnm);
- thanx(stdout);
-
return 0;
}
view_all(oenv, NFILE, fnm);
- thanx(stderr);
-
return 0;
}
do_view(oenv, opt2fn("-ov", NFILE, fnm), "-nxy");
}
- thanx(stderr);
-
return 0;
}
#include "smalloc.h"
#include "futil.h"
#include "statutil.h"
-#include "copyrite.h"
#include "macros.h"
#include "enxio.h"
#include "physics.h"
do_view(oenv, opt2fn_null("-o", NFILE, fnm), "-xydy");
do_view(oenv, opt2fn_null("-oi", NFILE, fnm), "-xydy");
- thanx(stderr);
-
return 0;
}
#include "vec.h"
#include "pbc.h"
#include "xvgr.h"
-#include "copyrite.h"
#include "gmx_fatal.h"
#include "futil.h"
#include "statutil.h"
do_view(oenv, opt2fn("-o", NFILE, fnm), "-nxy");
do_view(oenv, opt2fn_null("-d", NFILE, fnm), "-nxy");
- thanx(stderr);
-
return 0;
}
#include "smalloc.h"
#include "macros.h"
#include "vec.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
ffclose(fkinkl);
}
- thanx(stderr);
-
return 0;
}
#include "confio.h"
#include "pdbio.h"
-#include "copyrite.h"
#include "gmx_fatal.h"
#include "futil.h"
#include "gstat.h"
gmx_residuetype_destroy(rt);
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include "smalloc.h"
#include "typedefs.h"
-#include "copyrite.h"
#include "statutil.h"
#include "tpxio.h"
#include "string2.h"
do_view(oenv, opt2fn_null("-clid", NFILE, fnm), "-nxy");
}
- /* Thank the user for her patience */
- thanx(stderr);
-
return 0;
}
#include "rmpbc.h"
#include "statutil.h"
#include "xvgr.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "tpxio.h"
bMol, bPBC, fnTPR,
cutoff, nskip, nlevels, rgblo, rgbhi, ndf, oenv);
- thanx(stderr);
-
return 0;
}
#include <math.h>
#include "typedefs.h"
#include "xvgr.h"
-#include "copyrite.h"
#include "statutil.h"
#include "tpxio.h"
#include "string2.h"
view_all(oenv, NFILE, fnm);
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include "vec.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
fprintf(stderr, "Wrote the log to %s\n", logfile);
- thanx(stderr);
-
return 0;
}
#include "typedefs.h"
#include "smalloc.h"
#include "vec.h"
-#include "copyrite.h"
#include "statutil.h"
#include "tpxio.h"
#include "xvgr.h"
ffclose(mcor);
}
- thanx(stderr);
-
return 0;
}
#include "vec.h"
#include "xvgr.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
bSymmetrize, oenv);
do_view(oenv, opt2fn("-o", NFILE, fnm), "-nxy"); /* view xvgr file */
- thanx(stderr);
return 0;
}
#include "macros.h"
#include "vec.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
ffclose(fp);
}
- thanx(stderr);
-
do_view(oenv, opt2fn("-o", NFILE, fnm), NULL);
return 0;
#include "vec.h"
#include "xvgr.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
sfree(surf2);
}
- thanx(stderr);
return 0;
}
do_view(oenv, opt2fn("-c", NFILE, fnm), NULL);
do_view(oenv, opt2fn("-d", NFILE, fnm), "-nxy");
- thanx(stderr);
-
return 0;
}
#include "vec.h"
#include "pbc.h"
#include "bondf.h"
-#include "copyrite.h"
#include "futil.h"
#include "xvgr.h"
#include "txtdump.h"
do_view(oenv, opt2fn("-d", NFILE, fnm), "-autoscale xy");
do_view(oenv, opt2fn("-c", NFILE, fnm), "-autoscale xy");
- thanx(stderr);
-
return 0;
}
#include "typedefs.h"
#include "macros.h"
-#include "copyrite.h"
#include "mshift.h"
#include "xvgr.h"
#include "vec.h"
do_view(oenv, opt2fn("-ds", NFILE, fnm), "-nxy");
do_view(oenv, opt2fn("-dm", NFILE, fnm), "-nxy");
}
- thanx(stderr);
gmx_finalize_par();
#include "macros.h"
#include <math.h>
#include "xvgr.h"
-#include "copyrite.h"
#include "statutil.h"
#include "string2.h"
#include "vec.h"
ffclose(fp);
}
- thanx(stderr);
return 0;
}
#include "smalloc.h"
#include "mshift.h"
#include "statutil.h"
-#include "copyrite.h"
#include "pdbio.h"
#include "gmx_fatal.h"
#include "xvgr.h"
view_all(oenv, NFILE, fnm);
- thanx(stderr);
-
return 0;
}
do_view(oenv, ftp2fn(efXVG, NFILE, fnm), "-nxy");
- thanx(stderr);
-
return 0;
}
gmx_fatal(FARGS, "Could not read first frame of the trajectory.\n");
}
- thanx(stderr);
return 0;
}
#include "3dview.h"
#include "statutil.h"
#include "smalloc.h"
-#include "copyrite.h"
#include "index.h"
#include "confio.h"
#include "gmx_fatal.h"
}
close_trx(status);
- thanx(stderr);
-
return 0;
}
#include "symtab.h"
#include "smalloc.h"
#include "macros.h"
-#include "copyrite.h"
#include "statutil.h"
#include "string2.h"
#include "strdb.h"
do_view(oenv, outfile, NULL);
- thanx(stderr);
-
return 0;
}
#include "statutil.h"
#include "disre.h"
#include "names.h"
-#include "copyrite.h"
#include "macros.h"
#include "gmx_fatal.h"
#include "enxio.h"
fprintf(stderr, "Wrote %d frames\n", noutfr);
}
- thanx(stderr);
return 0;
}
#include "enxio.h"
#include "statutil.h"
#include "names.h"
-#include "copyrite.h"
#include "macros.h"
#include "xvgr.h"
#include "gstat.h"
}
close_enx(in);
- thanx(stderr);
-
return 0;
}
do_view(oenv, opt2fn_null("-oten", NFILE, fnm), nxy);
do_view(oenv, opt2fn_null("-odh", NFILE, fnm), nxy);
}
- thanx(stderr);
return 0;
}
#include "tpxio.h"
#include "princ.h"
#include "do_fit.h"
-#include "copyrite.h"
#include "rmpbc.h"
#include "gmx_ana.h"
#include "string2.h"
#include "physics.h"
#include "confio.h"
-#include "copyrite.h"
#include "txtdump.h"
#include <math.h>
#include "macros.h"
gmx_atomprop_destroy(aps);
- thanx(stderr);
-
return 0;
}
#include "maths.h"
#include "macros.h"
-#include "copyrite.h"
#include "string2.h"
#include "smalloc.h"
#include "sysstuff.h"
write_sto_conf(opt2fn("-o", NFILE, fnm), title, atoms, x, v, ePBC, box);
- thanx(stderr);
-
return 0;
}
#endif
#include <ctype.h>
-#include "copyrite.h"
#include "string2.h"
#include "smalloc.h"
#include "sysstuff.h"
write_sto_conf(ftp2fn(efSTO, NFILE, fnm), *top.name, &atoms, x, NULL, ePBC,
box);
- thanx(stderr);
-
return 0;
}
#include "sysstuff.h"
#include "statutil.h"
#include <string.h>
-#include "copyrite.h"
#include "smalloc.h"
#include "typedefs.h"
#include "confio.h"
sfree(v);
}
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include "vec.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
do_view(oenv, ftp2fn(efXVG, NFILE, fnm), "-nxy");
- thanx(stderr);
-
return 0;
}
#include "vec.h"
#include "xvgr.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
slWidth, oenv);
do_view(oenv, opt2fn("-o", NFILE, fnm), "-nxy"); /* view xvgr file */
- thanx(stderr);
return 0;
}
ffclose(fp);
}
- thanx(stdout);
-
return 0;
}
#include <math.h>
#include "confio.h"
-#include "copyrite.h"
#include "gmx_fatal.h"
#include "fitahx.h"
#include "futil.h"
do_view(oenv, xf[i].filenm, "-nxy");
}
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include <math.h>
#include "xvgr.h"
-#include "copyrite.h"
#include "statutil.h"
#include "string2.h"
#include "vec.h"
close_trj(status);
- thanx(stderr);
return 0;
}
#include "vec.h"
#include "xvgr.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
writeraw(intfpos, frames, xslices, yslices, raw);
}
-
-
- thanx(stderr);
-
return 0;
}
view_all(oenv, NFILE, fnm);
- thanx(stderr);
#else
fprintf(stderr, "This program should be compiled with the GNU scientific library. Please install the library and reinstall GROMACS.\n");
#endif /*HAVE_LIBGSL*/
#include "macros.h"
#include "gmx_fatal.h"
#include "vec.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "txtdump.h"
do_view(oenv, ftp2fn(efXVG, NFILE, fnm), "-nxy");
- thanx(stderr);
-
return 0;
}
#include "gmx_fatal.h"
#include "vec.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "pdbio.h"
/* Write edi-file */
write_the_whole_thing(ffopen(EdiFile, "w"), &edi_params, eigvec1, nvec1, listen, evStepList);
- thanx(stderr);
return 0;
}
#include "string2.h"
#include "statutil.h"
#include "confio.h"
-#include "copyrite.h"
#include "typedefs.h"
#include "index.h"
#include "smalloc.h"
write_index(ndxoutfile, block, gnames);
- thanx(stderr);
-
return 0;
}
#include "typedefs.h"
#include "filenm.h"
#include "statutil.h"
-#include "copyrite.h"
#include "futil.h"
#include "gmx_fatal.h"
#include "smalloc.h"
ffclose(fp);
}
- thanx(stderr);
-
return 0;
}
#include "sysstuff.h"
#include "statutil.h"
#include "macros.h"
-#include "copyrite.h"
#include "main.h"
#include "gmx_ana.h"
#include "string2.h"
#include "vec.h"
#include "xvgr.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
do_view(oenv, numfnm, "-nxy");
}
- thanx(stderr);
-
return 0;
}
#include <math.h>
#include "typedefs.h"
#include "smalloc.h"
-#include "copyrite.h"
#include "statutil.h"
#include "macros.h"
#include "string2.h"
}
ffclose(out);
- thanx(stderr);
-
return 0;
}
#include "smalloc.h"
#include "macros.h"
#include "confio.h"
-#include "copyrite.h"
#include "xvgr.h"
#include "index.h"
#include "do_fit.h"
do_view(oenv, opt2fn("-or", NFILE, fnm), "-nxy");
}
- thanx(stderr);
-
return 0;
}
#include "maths.h"
#include "futil.h"
#include "index.h"
-#include "copyrite.h"
#include "typedefs.h"
#include "xvgr.h"
#include "gstat.h"
view_all(oenv, NFILE, fnm);
- thanx(stderr);
-
return 0;
}
write_eigenvectors(opt2fn("-v", NFILE, fnm), natoms, eigenvectors, FALSE, begin, end,
eWXR_NO, NULL, FALSE, top_x, bM, eigenvalues);
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include "gmx_fatal.h"
#include "vec.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
#include "macros.h"
#include "gmx_fatal.h"
#include "vec.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
#include "typedefs.h"
#include "macros.h"
#include "statutil.h"
-#include "copyrite.h"
/*
* This program is needed to create the files:
parse_common_args(&argc, argv, 0,
0, NULL, 0, NULL, asize(desc), desc, asize(bugs), bugs, &oenv);
- thanx(stderr);
-
return 0;
}
#include "vec.h"
#include "xvgr.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
do_view(oenv, opt2fn("-od", NFILE, fnm), NULL); /* view xvgr file */
}
- thanx(stderr);
if (distvals != NULL)
{
for (i = 0; i < nslices; ++i)
#include "smalloc.h"
#include "futil.h"
#include "statutil.h"
-#include "copyrite.h"
#include "vec.h"
#include "index.h"
#include "macros.h"
do_view(oenv, opt2fn("-p", NFILE, fnm), "-nxy");
}
- thanx(stderr);
-
return 0;
}
#include "vec.h"
#include "xvgr.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
do_view(oenv, opt2fn("-oc", NFILE, fnm), NULL); /* view xvgr file */
do_view(oenv, opt2fn("-of", NFILE, fnm), NULL); /* view xvgr file */
- thanx(stderr);
return 0;
}
#include "macros.h"
#include "vec.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
ffclose(axis3);
ffclose(fmoi);
- thanx(stderr);
-
return 0;
}
#include "xvgr.h"
#include "physics.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
do_view(oenv, ftp2fn(efXVG, NFILE, fnm), NULL);
- thanx(stderr);
-
return 0;
}
#include "vec.h"
#include "pbc.h"
#include "xvgr.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "tpxio.h"
bCM, closet[0], rdft, bXY, bPBC, bNormalize, cutoff, binwidth, fade, ngroups,
oenv);
- thanx(stderr);
-
return 0;
}
do_view(oenv, opt2fn_null("-bm", NFILE, fnm), NULL);
do_view(oenv, opt2fn_null("-dist", NFILE, fnm), NULL);
- thanx(stderr);
-
return 0;
}
#include "smalloc.h"
#include "typedefs.h"
#include "names.h"
-#include "copyrite.h"
#include "statutil.h"
#include "tpxio.h"
#include "string2.h"
do_view(oenv, ftp2fn(efXVG, NFILE, fnm), NULL);
- thanx(stderr);
return 0;
}
#include "macros.h"
#include "typedefs.h"
#include "xvgr.h"
-#include "copyrite.h"
#include "statutil.h"
#include "string2.h"
#include "vec.h"
do_view(oenv, opt2fn("-od", NFILE, fnm), "-nxy");
}
- thanx(stderr);
-
return 0;
}
#include "smalloc.h"
#include "futil.h"
#include "statutil.h"
-#include "copyrite.h"
#include "index.h"
#include "macros.h"
#include "gmx_fatal.h"
do_view(oenv, ftp2fn(efXVG, NFILE, fnm), NULL);
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include "vec.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
do_view(oenv, ftp2fn(efXVG, NFILE, fnm), "-nxy");
- thanx(stderr);
-
return 0;
}
#include "typedefs.h"
#include "filenm.h"
#include "statutil.h"
-#include "copyrite.h"
#include "futil.h"
#include "gmx_fatal.h"
#include "smalloc.h"
}
}
}
- thanx(stderr);
return 0;
}
sfree(sq);
please_cite(stdout, "Garmay2012");
- thanx(stderr);
return 0;
}
do_view(oenv, opt2fn_null("-or", NFILE, fnm), "-nxy");
do_view(oenv, opt2fn_null("-oa", NFILE, fnm), "-nxy");
- thanx(stderr);
-
return 0;
}
please_cite(stdout, "Cromer1968a");
- thanx(stderr);
-
return 0;
}
#include "vec.h"
#include "xvgr.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
do_view(oenv, fnd1, "-nxy"); /* view xvgr file */
do_view(oenv, fnd2, "-nxy"); /* view xvgr file */
- thanx(stderr);
return 0;
}
#include "macros.h"
#include "gmx_fatal.h"
#include "vec.h"
-#include "copyrite.h"
#include "futil.h"
#include "readinp.h"
#include "statutil.h"
opt2parg_bSet("-xmin", NPA, pa), rmin,
opt2parg_bSet("-xmax", NPA, pa), rmax);
- thanx(stderr);
-
return 0;
}
#include <math.h>
#include "typedefs.h"
#include "statutil.h"
-#include "copyrite.h"
#include "gmx_fatal.h"
#include "xvgr.h"
#include "pdbio.h"
do_view(oenv, ftp2fn(efXVG, NFILE, fnm), NULL);
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include "statutil.h"
#include "smalloc.h"
-#include "copyrite.h"
#include "gstat.h"
#include "vec.h"
#include "xvgr.h"
do_view(oenv, opt2fn("-ro", NFILE, fnm), "-nxy");
do_view(oenv, opt2fn("-co", NFILE, fnm), "-nxy");
- thanx(stderr);
-
return 0;
}
#include "typedefs.h"
#include "smalloc.h"
#include "vec.h"
-#include "copyrite.h"
#include "statutil.h"
#include "tpxio.h"
#include <math.h>
printf("Raw data: average %le, min %le, max %le\n", 1.0/norm, (double)min/(double)numfr, (double)max/(double)numfr);
}
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include "statutil.h"
#include "smalloc.h"
-#include "copyrite.h"
#include "gstat.h"
#include "vec.h"
#include "xvgr.h"
do_view(oenv, opt2fn("-o", NFILE, fnm), NULL);
- thanx(stderr);
-
return 0;
}
#include <math.h>
#include "confio.h"
-#include "copyrite.h"
#include "gmx_fatal.h"
#include "futil.h"
#include "gstat.h"
opt2fn("-of", NFILE, fnm), opt2fn_null("-oc", NFILE, fnm),
opt2fn("-ov", NFILE, fnm), oenv);
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include "vec.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
/* view it */
view_all(oenv, NFILE, fnm);
- thanx(stderr);
-
return 0;
}
#include "sysstuff.h"
#include "smalloc.h"
#include "typedefs.h"
-#include "copyrite.h"
#include "gmxfio.h"
#include "tpxio.h"
#include "trnio.h"
fprintf(stderr, "\nLast frame written was %d, time %f %s\n",
frame, output_env_conv_time(oenv, last_ok_t), output_env_get_time_unit(oenv));
}
- thanx(stderr);
return 0;
}
#include "sysstuff.h"
#include "smalloc.h"
#include "typedefs.h"
-#include "copyrite.h"
#include "gmxfio.h"
#include "tpxio.h"
#include "trnio.h"
do_view(oenv, out_file, NULL);
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include "vec.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "statutil.h"
#include "index.h"
}
gmx_rmpbc_done(gpbc);
- thanx(stderr);
-
return 0;
}
#include "maths.h"
#include "futil.h"
#include "index.h"
-#include "copyrite.h"
#include "typedefs.h"
#include "xvgr.h"
#include "gstat.h"
do_view(oenv, orfile, NULL);
do_view(oenv, otfile, NULL);
- thanx(stderr);
-
return 0;
}
#include <math.h>
#include "confio.h"
-#include "copyrite.h"
#include "gmx_fatal.h"
#include "futil.h"
#include "gstat.h"
fprintf(stderr, "Not enough frames in trajectory - no output generated.\n");
}
- thanx(stderr);
-
return 0;
}
printf("\nIn case you use results from g_wham for a publication, please cite:\n");
please_cite(stdout, "Hub2010");
- thanx(stderr);
return 0;
}
#include "vec.h"
#include "xvgr.h"
#include "pbc.h"
-#include "copyrite.h"
#include "futil.h"
#include "strdb.h"
#include "statutil.h"
wheel2(ftp2fn(efEPS, NFILE, fnm), nres, resnm, r0, rot0, title);
}
- thanx(stderr);
-
return 0;
}
#include <stdlib.h>
#include <math.h>
#include "string2.h"
-#include "copyrite.h"
#include "typedefs.h"
#include "macros.h"
#include "statutil.h"
view_all(oenv, NFILE, fnm);
- thanx(stderr);
-
return 0;
}
}
-void thanx(FILE *fp)
+void gmx_thanx(FILE *fp)
{
char cq[1024];
int cqnum;
#include "statutil.h"
#include "confio.h"
#include "main.h"
-#include "copyrite.h"
#include "typedefs.h"
#include "smalloc.h"
#include "invblock.h"
#include "macros.h"
#include "vec.h"
#include "futil.h"
-#include "copyrite.h"
#include "mshift.h"
#include "main.h"
#include "pbc.h"
#else
#ifdef GMX_THREAD_MPI
fprintf(stderr, "Halting program %s\n", ShortProgram());
- thanx(stderr);
+ gmx_thanx(stderr);
exit(1);
#else
if (nnodes > 1)
fprintf(stderr, "Halting program %s\n", ShortProgram());
}
- thanx(stderr);
+ gmx_thanx(stderr);
MPI_Abort(MPI_COMM_WORLD, errorno);
exit(1);
#endif
#include "macros.h"
#include "index.h"
#include "strdb.h"
-#include "copyrite.h"
#include "tpxio.h"
#include "typedefs.h"
#include "statutil.h"
#include <stdio.h>
#include "futil.h"
#include "gmx_fatal.h"
-#include "copyrite.h"
#include "writeps.h"
#include "smalloc.h"
#include "gmxfio.h"
#include "sysstuff.h"
#include "typedefs.h"
#include "smalloc.h"
-#include "copyrite.h"
#include "string2.h"
#include "confio.h"
#include "symtab.h"
#include <ctype.h>
#include "vec.h"
-#include "copyrite.h"
#include "smalloc.h"
#include "macros.h"
#include "symtab.h"
cool_quote(char *retstring, int retsize, int *cqnum);
void
-thanx(FILE *fp);
+gmx_thanx(FILE *fp);
void
please_cite(FILE *fp, const char *key);
#include "xvgr.h"
#include "trnio.h"
#include "xtcio.h"
-#include "copyrite.h"
#include "gmx_random.h"
#include "domdec.h"
#include "partdec.h"
#include "string2.h"
#include "network.h"
#include "confio.h"
-#include "copyrite.h"
#include "smalloc.h"
#include "nrnb.h"
#include "main.h"
#include "network.h"
#include "physics.h"
#include "nrnb.h"
-#include "copyrite.h"
#include "gmx_wallcycle.h"
#include "pdbio.h"
#include "gmx_cyclecounter.h"
#include "bondf.h"
#include "mshift.h"
#include "txtdump.h"
-#include "copyrite.h"
#include "qmmm.h"
#include <stdio.h>
#include <string.h>
if (PAR(cr))
{
- if MASTER(cr){
+ if (MASTER(cr))
+ {
out = fopen("FOR009", "w");
/* of these options I am not completely sure.... the overall
* preformance on more than 4 cpu's is rather poor at the moment.
#include "bondf.h"
#include "mshift.h"
#include "txtdump.h"
-#include "copyrite.h"
#include "qmmm.h"
#include <stdio.h>
#include <string.h>
#include "bondf.h"
#include "mshift.h"
#include "txtdump.h"
-#include "copyrite.h"
#include "qmmm.h"
#include <stdio.h>
#include <string.h>
#include "bondf.h"
#include "mshift.h"
#include "txtdump.h"
-#include "copyrite.h"
#include "qmmm.h"
#include <stdio.h>
#include <string.h>
#include "bondf.h"
#include "mshift.h"
#include "txtdump.h"
-#include "copyrite.h"
#include "qmmm.h"
#include <stdio.h>
#include <string.h>
#include "domdec.h"
#include "partdec.h"
#include "physics.h"
-#include "copyrite.h"
#include "shellfc.h"
#include "mtop_util.h"
#include "chargegroup.h"
#include "string2.h"
#include "network.h"
#include "confio.h"
-#include "copyrite.h"
#include "smalloc.h"
#include "nrnb.h"
#include "main.h"
#include "names.h"
#include "txtdump.h"
#include "mdrun.h"
-#include "copyrite.h"
#include "constr.h"
#include "edsam.h"
#include "pull.h"
TrajectoryAnalysisModule *module_;
int debugLevel_;
- bool bPrintCopyright_;
+ bool bStandalone_;
};
TrajectoryAnalysisCommandLineRunner::Impl::Impl(
TrajectoryAnalysisModule *module)
- : module_(module), debugLevel_(0), bPrintCopyright_(true)
+ : module_(module), debugLevel_(0), bStandalone_(true)
{
}
void
-TrajectoryAnalysisCommandLineRunner::setPrintCopyright(bool bPrint)
+TrajectoryAnalysisCommandLineRunner::setStandalone(bool bStandalone)
{
- impl_->bPrintCopyright_ = bPrint;
+ impl_->bStandalone_ = bStandalone;
}
{
TrajectoryAnalysisModule *module = impl_->module_;
- if (impl_->bPrintCopyright_)
+ if (impl_->bStandalone_)
{
CopyRight(stderr, argv[0]);
}
module->finishAnalysis(nframes);
module->writeOutput();
+ if (impl_->bStandalone_)
+ {
+ gmx_thanx(stderr);
+ }
+
return 0;
}
~TrajectoryAnalysisCommandLineRunner();
/*! \brief
- * Sets whether the runner will print the copyright header.
+ * Sets whether the runner will print standalone messages.
*
- * \param[in] bPrint Whether to print the copyright header.
+ * \param[in] bStandalone Whether the runner is run directly from main().
*
- * By default, the copyright header is printed.
+ * By default, the runner takes responsibility of printing some
+ * standard Gromacs messages at startup and at the end.
* This is used internally when executing the runner in a context where
- * the copyright has already been printed at a higher level.
+ * these messages are handled on a higher level.
*
* Does not throw.
*/
- void setPrintCopyright(bool bPrint);
+ void setStandalone(bool bStandalone);
/*! \brief
* Sets the default debugging level for selections.
*
{
TrajectoryAnalysisModulePointer module(createModule());
TrajectoryAnalysisCommandLineRunner runner(module.get());
- runner.setPrintCopyright(false);
+ runner.setStandalone(false);
return runner.run(argc, argv);
}
}
TrajectoryAnalysisCommandLineRunner runner(&module);
- runner.setPrintCopyright(false);
+ runner.setStandalone(false);
int rc = 0;
EXPECT_NO_THROW_GMX(rc = runner.run(impl_->cmdline_.argc(), impl_->cmdline_.argv()));
EXPECT_EQ(0, rc);
x11->MainLoop(x11);
x11->CleanUp(x11);
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
x11->MainLoop(x11);
x11->CleanUp(x11);
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
x11->MainLoop(x11);
x11->CleanUp(x11);
- thanx(stderr);
+ gmx_thanx(stderr);
return 0;
}
#include "string2.h"
#include "typedefs.h"
#include "macros.h"
-#include "copyrite.h"
#include "smalloc.h"
#include "statutil.h"
#include "confio.h"
sfree(ix);
sfree(iatoms);
- thanx(stderr);
-
return 0;
}
#include "maths.h"
#include "macros.h"
-#include "copyrite.h"
#include "bondf.h"
#include "gmxfio.h"
#include "string2.h"
printf(" Please verify atomtypes and charges by comparison to other\n");
printf(" topologies.\n");
- thanx(stderr);
-
return 0;
}
#include <math.h>
#include "futil.h"
#include "statutil.h"
-#include "copyrite.h"
#include "sysstuff.h"
#include "txtdump.h"
#include "gmx_fatal.h"
chk_ndx(ftp2fn(efNDX, NFILE, fnm));
}
- thanx(stderr);
-
return 0;
}
#include "macros.h"
#include "futil.h"
#include "statutil.h"
-#include "copyrite.h"
#include "sysstuff.h"
#include "txtdump.h"
#include "gmx_fatal.h"
list_mtx(ftp2fn(efMTX, NFILE, fnm));
}
- thanx(stderr);
-
return 0;
}
#include "toputil.h"
#include "topio.h"
#include "confio.h"
-#include "copyrite.h"
#include "readir.h"
#include "symtab.h"
#include "names.h"
write_tpx_state(ftp2fn(efTPX, NFILE, fnm), ir, &state, sys);
- thanx(stderr);
-
return 0;
}
#include "maths.h"
#include "macros.h"
-#include "copyrite.h"
#include "bondf.h"
#include "string2.h"
#include "smalloc.h"
}
printf("\t\t--------- ETON ESAELP ------------\n");
-
- thanx(stdout);
-
return 0;
}
#include "enxio.h"
#include "readir.h"
#include "statutil.h"
-#include "copyrite.h"
#include "futil.h"
#include "vec.h"
#include "mtop_util.h"
{
printf("You've simulated long enough. Not writing tpr file\n");
}
- thanx(stderr);
return 0;
}
if (MULTIMASTER(cr))
{
- thanx(stderr);
+ gmx_thanx(stderr);
}
/* Log file has to be closed in mdrunner if we are appending to it
#include "vec.h"
#include "statutil.h"
#include "macros.h"
-#include "copyrite.h"
#include "main.h"
#include "futil.h"
#include "edsam.h"