/*
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 3.2.0
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2004, The GROMACS development team,
- * check out http://www.gromacs.org for more information.
-
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
+ * Copyright (c) 2001-2004, The GROMACS development team.
+ * Copyright (c) 2013,2014, 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.
+ *
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
* of the License, or (at your option) any later version.
*
- * If you want to redistribute modifications, please consider that
- * scientific software is very special. Version control is crucial -
- * bugs must be traceable. We will be happy to consider code for
- * inclusion in the official distribution, but derived work must not
- * be called official GROMACS. Details are found in the README & COPYING
- * files - if they are missing, get the official version at www.gromacs.org.
+ * GROMACS is distributed in the hope that it will be useful,
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+ * Lesser General Public License for more details.
*
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- * the papers on the package - you can find them in the top README file.
+ * You should have received a copy of the GNU Lesser General Public
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*
- * For more info, check our website at http://www.gromacs.org
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
- * And Hey:
- * Gyas ROwers Mature At Cryogenic Speed
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
+
+#include "config.h"
#include <stdio.h>
-#include <ctype.h>
#include <string.h>
-#include "sysstuff.h"
-#include "macros.h"
-#include "smalloc.h"
-#include "gmx_fatal.h"
-#include "typedefs.h"
-#include "string2.h"
-#include "statutil.h"
-#include "copyrite.h"
-#include "confio.h"
-#include "tpxio.h"
-
-#ifdef HAVE_X11
+
+#include "gromacs/commandline/pargs.h"
+#include "gromacs/fileio/confio.h"
+#include "gromacs/fileio/tpxio.h"
+#include "gromacs/legacyheaders/copyrite.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
+
+#ifdef GMX_X11
+
+#include "gromacs/fileio/writeps.h"
#include "Xstuff.h"
-#include "gromacs.bm"
-#include "xutil.h"
#include "dialogs.h"
-#include "writeps.h"
+#include "gromacs.bm"
#include "molps.h"
#include "nmol.h"
-
-/* Forward declarations: I Don't want all that init shit here */
-void init_gmx(t_x11 *x11, char *program, int nfile, t_filenm fnm[],
- const output_env_t oenv);
+#include "xutil.h"
static void dump_it(t_manager *man)
{
return false;
}
-static bool MainCallBack(t_x11 *x11, XEvent *event, Window w, void *data)
+static bool MainCallBack(t_x11 *x11, XEvent *event, Window /*w*/, void *data)
{
t_gmx *gmx;
int nsel, width, height;
}
return result;
}
-//! HAVE_X11
-#endif
-int gmx_view(int argc, char *argv[])
-{
- const char *desc[] = {
- "[TT]view[tt] is the GROMACS trajectory viewer. This program reads a",
- "trajectory file, a run input file and an index file and plots a",
- "3D structure of your molecule on your standard X Window",
- "screen. No need for a high end graphics workstation, it even",
- "works on Monochrome screens.[PAR]",
- "The following features have been implemented:",
- "3D view, rotation, translation and scaling of your molecule(s),",
- "labels on atoms, animation of trajectories,",
- "hardcopy in PostScript format, user defined atom-filters",
- "runs on MIT-X (real X), open windows and motif,",
- "user friendly menus, option to remove periodicity, option to",
- "show computational box.[PAR]",
- "Some of the more common X command line options can be used: ",
- "[TT]-bg[tt], [TT]-fg[tt] change colors, [TT]-font fontname[tt] changes the font."
- };
- const char *bugs[] = {
- "Balls option does not work",
- "Some times dumps core without a good reason"
- };
-
- output_env_t oenv;
- t_filenm fnm[] = {
- { efTRX, "-f", NULL, ffREAD },
- { efTPX, NULL, NULL, ffREAD },
- { efNDX, NULL, NULL, ffOPTRD }
- };
-#define NFILE asize(fnm)
-
- if (parse_common_args(&argc, argv, PCA_CAN_TIME, NFILE, fnm,
- 0, NULL, asize(desc), desc, asize(bugs), bugs, &oenv))
- {
-#ifndef HAVE_X11
- fprintf(stderr, "Compiled without X-Windows - can not run viewer.\n");
-#else
- t_x11 *x11;
-
- if ((x11 = GetX11(&argc, argv)) == NULL)
- {
- fprintf(stderr, "Can't connect to X Server.\n"
- "Check your DISPLAY environment variable\n");
- }
- else
- {
- init_gmx(x11, argv[0], NFILE, fnm, oenv);
- x11->MainLoop(x11);
- x11->CleanUp(x11);
- }
-#endif
- }
- return 0;
-}
-
-#ifdef HAVE_X11
static t_mentry FileMenu[] = {
{ 0, IDEXPORT, false, "Export..." },
{ 0, IDDUMPWIN, false, "Print" },
"File", "Display", "Help"
};
-void init_gmx(t_x11 *x11, char *program, int nfile, t_filenm fnm[],
- const output_env_t oenv)
+static void init_gmx(t_x11 *x11, char *program, int nfile, t_filenm fnm[],
+ const output_env_t oenv)
{
Pixmap pm;
t_gmx *gmx;
snew(gmx, 1);
snew(gmx->wd, 1);
- ePBC = read_tpx_top(ftp2fn(efTPX, nfile, fnm),
+ ePBC = read_tpx_top(ftp2fn(efTPR, nfile, fnm),
NULL, box, &natom, NULL, NULL, NULL, &top);
read_first_frame(oenv, &status, ftp2fn(efTRX, nfile, fnm), &fr, TRX_DONT_SKIP);
init_dlgs(x11, gmx);
- /* Now do file shit */
- set_file(x11, gmx->man, ftp2fn(efTRX, nfile, fnm), ftp2fn(efTPX, nfile, fnm));
+ /* Now do file operations */
+ set_file(x11, gmx->man, ftp2fn(efTRX, nfile, fnm), ftp2fn(efTPR, nfile, fnm));
ShowDlg(gmx->dlgs[edFilter]);
}
+#endif
+
+int gmx_view(int argc, char *argv[])
+{
+ const char *desc[] = {
+ "[THISMODULE] is the GROMACS trajectory viewer. This program reads a",
+ "trajectory file, a run input file and an index file and plots a",
+ "3D structure of your molecule on your standard X Window",
+ "screen. No need for a high end graphics workstation, it even",
+ "works on Monochrome screens.[PAR]",
+ "The following features have been implemented:",
+ "3D view, rotation, translation and scaling of your molecule(s),",
+ "labels on atoms, animation of trajectories,",
+ "hardcopy in PostScript format, user defined atom-filters",
+ "runs on MIT-X (real X), open windows and motif,",
+ "user friendly menus, option to remove periodicity, option to",
+ "show computational box.[PAR]",
+ "Some of the more common X command line options can be used: ",
+ "[TT]-bg[tt], [TT]-fg[tt] change colors, [TT]-font fontname[tt] changes the font."
+ };
+ const char *bugs[] = {
+ "Balls option does not work",
+ "Some times dumps core without a good reason"
+ };
+
+ output_env_t oenv;
+ t_filenm fnm[] = {
+ { efTRX, "-f", NULL, ffREAD },
+ { efTPR, NULL, NULL, ffREAD },
+ { efNDX, NULL, NULL, ffOPTRD }
+ };
+#define NFILE asize(fnm)
+
+ if (parse_common_args(&argc, argv, PCA_CAN_TIME, NFILE, fnm,
+ 0, NULL, asize(desc), desc, asize(bugs), bugs, &oenv))
+ {
+#ifndef GMX_X11
+ fprintf(stderr, "Compiled without X-Windows - can not run viewer.\n");
+#else
+ t_x11 *x11;
-//! HAVE_X11
+ if ((x11 = GetX11(&argc, argv)) == NULL)
+ {
+ fprintf(stderr, "Can't connect to X Server.\n"
+ "Check your DISPLAY environment variable\n");
+ }
+ else
+ {
+ init_gmx(x11, argv[0], NFILE, fnm, oenv);
+ x11->MainLoop(x11);
+ x11->CleanUp(x11);
+ }
#endif
+ }
+ return 0;
+}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff