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47 #include "gmx_fatal.h"
50 #include "gromacs/commandline/pargs.h"
52 #include "gromacs/fileio/confio.h"
53 #include "gromacs/fileio/tpxio.h"
57 #include "gromacs/fileio/writeps.h"
66 static void dump_it(t_manager *man)
70 ps = ps_open("view.ps", 0, 0, man->molw->wd.width, man->molw->wd.height);
75 static void done_gmx(t_x11 *x11, t_gmx *gmx)
77 done_logo(x11, gmx->logo);
78 done_pd(x11, gmx->pd);
79 done_man(x11, gmx->man);
81 x11->UnRegisterCallback(x11, gmx->wd->self);
84 static void move_gmx(t_x11 *x11, t_gmx *gmx, int width, int height,
89 fprintf(stderr, "Move gmx %dx%d\n", width, height);
91 y0 = XTextHeight(x11->font);
95 XResizeWindow(x11->disp, gmx->pd->wd.self, width, y0);
98 XMoveWindow(x11->disp, gmx->man->wd.self, 0, y0+1);
99 XResizeWindow(x11->disp, gmx->man->wd.self, width, height-y0-1);
101 wl = gmx->logo->wd.width;
102 hl = gmx->logo->wd.height;
103 XMoveWindow(x11->disp, gmx->logo->wd.self, (width-wl)/2, (height-y0-hl)/2);
106 static bool HandleClient(t_x11 *x11, int ID, t_gmx *gmx)
116 write_gmx(x11, gmx, IDDODUMP);
119 if (gmx->man->bAnimate)
121 hide_but(x11, gmx->man->vbox);
124 if (gmx->man->bAnimate)
126 show_but(x11, gmx->man->vbox);
132 ShowDlg(gmx->dlgs[edExport]);
135 write_sto_conf(gmx->confout, *gmx->man->top.name,
136 &(gmx->man->top.atoms),
137 gmx->man->x, NULL, gmx->man->molw->ePBC, gmx->man->box);
140 show_mb(gmx, emQuit);
148 edit_file("topol.gmx");
151 edit_file("confin.gmx");
154 edit_file("mdparin.gmx");
161 ShowDlg(gmx->dlgs[edFilter]);
165 do_filter(x11, gmx->man, gmx->filter);
168 check_pd_item(pd, IDANIMATE, toggle_animate(x11, gmx->man));
171 no_labels(x11, gmx->man);
174 reset_view(gmx->man->view);
175 ExposeWin(x11->disp, gmx->man->molw->wd.self);
178 show_mb(gmx, emNotImplemented);
181 ShowDlg(gmx->dlgs[edBonds]);
184 set_bond_type(x11, gmx->man->molw, eBThin);
187 set_bond_type(x11, gmx->man->molw, eBFat);
190 set_bond_type(x11, gmx->man->molw, eBVeryFat);
193 set_bond_type(x11, gmx->man->molw, eBSpheres);
196 set_box_type(x11, gmx->man->molw, esbNone);
199 set_box_type(x11, gmx->man->molw, esbRect);
202 set_box_type(x11, gmx->man->molw, esbTri);
205 set_box_type(x11, gmx->man->molw, esbTrunc);
216 show_mb(gmx, emNotImplemented);
221 show_mb(gmx, emHelp);
224 show_logo(x11, gmx->logo);
233 static bool MainCallBack(t_x11 *x11, XEvent *event, Window /*w*/, void *data)
236 int nsel, width, height;
244 hide_pd(x11, gmx->pd);
246 case ConfigureNotify:
247 width = event->xconfigure.width;
248 height = event->xconfigure.height;
249 if ((width != gmx->wd->width) || (height != gmx->wd->height))
251 move_gmx(x11, gmx, width, height, true);
255 hide_pd(x11, gmx->pd);
256 nsel = event->xclient.data.l[0];
257 result = HandleClient(x11, nsel, gmx);
265 static t_mentry FileMenu[] = {
266 { 0, IDEXPORT, false, "Export..." },
267 { 0, IDDUMPWIN, false, "Print" },
268 { 0, IDQUIT, false, "Quit" }
271 static t_mentry DispMenu[] = {
272 { 0, IDFILTER, false, "Filter..." },
273 { 0, IDANIMATE, false, "Animate" },
274 { 0, IDLABELSOFF, false, "Labels Off"},
275 { 0, IDRESETVIEW, false, "Reset View"},
276 { 0, IDBONDOPTS, false, "Options..."}
279 static t_mentry HelpMenu[] = {
280 { 0, IDHELP, false, "Help" },
281 { 0, IDABOUT, false, "About Gromacs..." }
284 static t_mentry *gmx_pd[] = { FileMenu, DispMenu, HelpMenu };
286 #define MSIZE asize(gmx_pd)
288 static int gmx_pd_size[MSIZE] = {
289 asize(FileMenu), asize(DispMenu), asize(HelpMenu)
292 static const char *MenuTitle[MSIZE] = {
293 "File", "Display", "Help"
296 static void init_gmx(t_x11 *x11, char *program, int nfile, t_filenm fnm[],
297 const output_env_t oenv)
303 int natom, natom_trx;
314 ePBC = read_tpx_top(ftp2fn(efTPX, nfile, fnm),
315 NULL, box, &natom, NULL, NULL, NULL, &top);
317 read_first_frame(oenv, &status, ftp2fn(efTRX, nfile, fnm), &fr, TRX_DONT_SKIP);
319 natom_trx = fr.natoms;
321 /* Creates a simple window */
322 w0 = DisplayWidth(x11->disp, x11->screen)-132;
323 h0 = DisplayHeight(x11->disp, x11->screen)-140;
325 InitWin(gmx->wd, 0, 0, w0, h0, 3, quote);
326 gmx->wd->self = XCreateSimpleWindow(x11->disp, x11->root,
327 gmx->wd->x, gmx->wd->y,
328 gmx->wd->width, gmx->wd->height,
329 gmx->wd->bwidth, WHITE, BLACK);
330 pm = XCreatePixmapFromBitmapData(x11->disp, x11->root,
331 (char *)gromacs_bits, gromacs_width,
334 hints.flags = PMinSize;
335 hints.min_width = 2*EWIDTH+40;
336 hints.min_height = EHEIGHT+LDHEIGHT+LEGHEIGHT+40;
337 XSetStandardProperties(x11->disp, gmx->wd->self, gmx->wd->text, program,
338 pm, NULL, 0, &hints);
340 x11->RegisterCallback(x11, gmx->wd->self, x11->root, MainCallBack, gmx);
341 x11->SetInputMask(x11, gmx->wd->self,
342 ButtonPressMask | ButtonReleaseMask |
343 OwnerGrabButtonMask | ExposureMask |
344 StructureNotifyMask);
346 /* The order of creating windows is important here! */
348 gmx->man = init_man(x11, gmx->wd->self, 0, 0, 1, 1, WHITE, BLACK, ePBC, box, oenv);
349 gmx->logo = init_logo(x11, gmx->wd->self, false);
351 /* Now put all windows in the proper place */
352 move_gmx(x11, gmx, w0, h0, false);
354 XMapWindow(x11->disp, gmx->wd->self);
355 map_man(x11, gmx->man);
358 gmx->pd = init_pd(x11, gmx->wd->self, gmx->wd->width,
360 MSIZE, gmx_pd_size, gmx_pd, MenuTitle);
362 /* Dialogs & Filters */
364 gmx->filter = init_filter(&(top.atoms), ftp2fn_null(efNDX, nfile, fnm),
369 /* Now do file shit */
370 set_file(x11, gmx->man, ftp2fn(efTRX, nfile, fnm), ftp2fn(efTPX, nfile, fnm));
372 ShowDlg(gmx->dlgs[edFilter]);
376 int gmx_view(int argc, char *argv[])
378 const char *desc[] = {
379 "[THISMODULE] is the GROMACS trajectory viewer. This program reads a",
380 "trajectory file, a run input file and an index file and plots a",
381 "3D structure of your molecule on your standard X Window",
382 "screen. No need for a high end graphics workstation, it even",
383 "works on Monochrome screens.[PAR]",
384 "The following features have been implemented:",
385 "3D view, rotation, translation and scaling of your molecule(s),",
386 "labels on atoms, animation of trajectories,",
387 "hardcopy in PostScript format, user defined atom-filters",
388 "runs on MIT-X (real X), open windows and motif,",
389 "user friendly menus, option to remove periodicity, option to",
390 "show computational box.[PAR]",
391 "Some of the more common X command line options can be used: ",
392 "[TT]-bg[tt], [TT]-fg[tt] change colors, [TT]-font fontname[tt] changes the font."
394 const char *bugs[] = {
395 "Balls option does not work",
396 "Some times dumps core without a good reason"
401 { efTRX, "-f", NULL, ffREAD },
402 { efTPX, NULL, NULL, ffREAD },
403 { efNDX, NULL, NULL, ffOPTRD }
405 #define NFILE asize(fnm)
407 if (parse_common_args(&argc, argv, PCA_CAN_TIME, NFILE, fnm,
408 0, NULL, asize(desc), desc, asize(bugs), bugs, &oenv))
411 fprintf(stderr, "Compiled without X-Windows - can not run viewer.\n");
415 if ((x11 = GetX11(&argc, argv)) == NULL)
417 fprintf(stderr, "Can't connect to X Server.\n"
418 "Check your DISPLAY environment variable\n");
422 init_gmx(x11, argv[0], NFILE, fnm, oenv);