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45 #include "gromacs/utility/smalloc.h"
46 #include "gromacs/utility/fatalerror.h"
48 #include "gromacs/commandline/pargs.h"
50 #include "gromacs/fileio/confio.h"
51 #include "gromacs/fileio/tpxio.h"
55 #include "gromacs/fileio/writeps.h"
64 static void dump_it(t_manager *man)
68 ps = ps_open("view.ps", 0, 0, man->molw->wd.width, man->molw->wd.height);
73 static void done_gmx(t_x11 *x11, t_gmx *gmx)
75 done_logo(x11, gmx->logo);
76 done_pd(x11, gmx->pd);
77 done_man(x11, gmx->man);
79 x11->UnRegisterCallback(x11, gmx->wd->self);
82 static void move_gmx(t_x11 *x11, t_gmx *gmx, int width, int height,
87 fprintf(stderr, "Move gmx %dx%d\n", width, height);
89 y0 = XTextHeight(x11->font);
93 XResizeWindow(x11->disp, gmx->pd->wd.self, width, y0);
96 XMoveWindow(x11->disp, gmx->man->wd.self, 0, y0+1);
97 XResizeWindow(x11->disp, gmx->man->wd.self, width, height-y0-1);
99 wl = gmx->logo->wd.width;
100 hl = gmx->logo->wd.height;
101 XMoveWindow(x11->disp, gmx->logo->wd.self, (width-wl)/2, (height-y0-hl)/2);
104 static bool HandleClient(t_x11 *x11, int ID, t_gmx *gmx)
114 write_gmx(x11, gmx, IDDODUMP);
117 if (gmx->man->bAnimate)
119 hide_but(x11, gmx->man->vbox);
122 if (gmx->man->bAnimate)
124 show_but(x11, gmx->man->vbox);
130 ShowDlg(gmx->dlgs[edExport]);
133 write_sto_conf(gmx->confout, *gmx->man->top.name,
134 &(gmx->man->top.atoms),
135 gmx->man->x, NULL, gmx->man->molw->ePBC, gmx->man->box);
138 show_mb(gmx, emQuit);
146 edit_file("topol.gmx");
149 edit_file("confin.gmx");
152 edit_file("mdparin.gmx");
159 ShowDlg(gmx->dlgs[edFilter]);
163 do_filter(x11, gmx->man, gmx->filter);
166 check_pd_item(pd, IDANIMATE, toggle_animate(x11, gmx->man));
169 no_labels(x11, gmx->man);
172 reset_view(gmx->man->view);
173 ExposeWin(x11->disp, gmx->man->molw->wd.self);
176 show_mb(gmx, emNotImplemented);
179 ShowDlg(gmx->dlgs[edBonds]);
182 set_bond_type(x11, gmx->man->molw, eBThin);
185 set_bond_type(x11, gmx->man->molw, eBFat);
188 set_bond_type(x11, gmx->man->molw, eBVeryFat);
191 set_bond_type(x11, gmx->man->molw, eBSpheres);
194 set_box_type(x11, gmx->man->molw, esbNone);
197 set_box_type(x11, gmx->man->molw, esbRect);
200 set_box_type(x11, gmx->man->molw, esbTri);
203 set_box_type(x11, gmx->man->molw, esbTrunc);
214 show_mb(gmx, emNotImplemented);
219 show_mb(gmx, emHelp);
222 show_logo(x11, gmx->logo);
231 static bool MainCallBack(t_x11 *x11, XEvent *event, Window /*w*/, void *data)
234 int nsel, width, height;
242 hide_pd(x11, gmx->pd);
244 case ConfigureNotify:
245 width = event->xconfigure.width;
246 height = event->xconfigure.height;
247 if ((width != gmx->wd->width) || (height != gmx->wd->height))
249 move_gmx(x11, gmx, width, height, true);
253 hide_pd(x11, gmx->pd);
254 nsel = event->xclient.data.l[0];
255 result = HandleClient(x11, nsel, gmx);
263 static t_mentry FileMenu[] = {
264 { 0, IDEXPORT, false, "Export..." },
265 { 0, IDDUMPWIN, false, "Print" },
266 { 0, IDQUIT, false, "Quit" }
269 static t_mentry DispMenu[] = {
270 { 0, IDFILTER, false, "Filter..." },
271 { 0, IDANIMATE, false, "Animate" },
272 { 0, IDLABELSOFF, false, "Labels Off"},
273 { 0, IDRESETVIEW, false, "Reset View"},
274 { 0, IDBONDOPTS, false, "Options..."}
277 static t_mentry HelpMenu[] = {
278 { 0, IDHELP, false, "Help" },
279 { 0, IDABOUT, false, "About Gromacs..." }
282 static t_mentry *gmx_pd[] = { FileMenu, DispMenu, HelpMenu };
284 #define MSIZE asize(gmx_pd)
286 static int gmx_pd_size[MSIZE] = {
287 asize(FileMenu), asize(DispMenu), asize(HelpMenu)
290 static const char *MenuTitle[MSIZE] = {
291 "File", "Display", "Help"
294 static void init_gmx(t_x11 *x11, char *program, int nfile, t_filenm fnm[],
295 const output_env_t oenv)
301 int natom, natom_trx;
312 ePBC = read_tpx_top(ftp2fn(efTPX, nfile, fnm),
313 NULL, box, &natom, NULL, NULL, NULL, &top);
315 read_first_frame(oenv, &status, ftp2fn(efTRX, nfile, fnm), &fr, TRX_DONT_SKIP);
317 natom_trx = fr.natoms;
319 /* Creates a simple window */
320 w0 = DisplayWidth(x11->disp, x11->screen)-132;
321 h0 = DisplayHeight(x11->disp, x11->screen)-140;
323 InitWin(gmx->wd, 0, 0, w0, h0, 3, quote);
324 gmx->wd->self = XCreateSimpleWindow(x11->disp, x11->root,
325 gmx->wd->x, gmx->wd->y,
326 gmx->wd->width, gmx->wd->height,
327 gmx->wd->bwidth, WHITE, BLACK);
328 pm = XCreatePixmapFromBitmapData(x11->disp, x11->root,
329 (char *)gromacs_bits, gromacs_width,
332 hints.flags = PMinSize;
333 hints.min_width = 2*EWIDTH+40;
334 hints.min_height = EHEIGHT+LDHEIGHT+LEGHEIGHT+40;
335 XSetStandardProperties(x11->disp, gmx->wd->self, gmx->wd->text, program,
336 pm, NULL, 0, &hints);
338 x11->RegisterCallback(x11, gmx->wd->self, x11->root, MainCallBack, gmx);
339 x11->SetInputMask(x11, gmx->wd->self,
340 ButtonPressMask | ButtonReleaseMask |
341 OwnerGrabButtonMask | ExposureMask |
342 StructureNotifyMask);
344 /* The order of creating windows is important here! */
346 gmx->man = init_man(x11, gmx->wd->self, 0, 0, 1, 1, WHITE, BLACK, ePBC, box, oenv);
347 gmx->logo = init_logo(x11, gmx->wd->self, false);
349 /* Now put all windows in the proper place */
350 move_gmx(x11, gmx, w0, h0, false);
352 XMapWindow(x11->disp, gmx->wd->self);
353 map_man(x11, gmx->man);
356 gmx->pd = init_pd(x11, gmx->wd->self, gmx->wd->width,
358 MSIZE, gmx_pd_size, gmx_pd, MenuTitle);
360 /* Dialogs & Filters */
362 gmx->filter = init_filter(&(top.atoms), ftp2fn_null(efNDX, nfile, fnm),
367 /* Now do file operations */
368 set_file(x11, gmx->man, ftp2fn(efTRX, nfile, fnm), ftp2fn(efTPX, nfile, fnm));
370 ShowDlg(gmx->dlgs[edFilter]);
374 int gmx_view(int argc, char *argv[])
376 const char *desc[] = {
377 "[THISMODULE] is the GROMACS trajectory viewer. This program reads a",
378 "trajectory file, a run input file and an index file and plots a",
379 "3D structure of your molecule on your standard X Window",
380 "screen. No need for a high end graphics workstation, it even",
381 "works on Monochrome screens.[PAR]",
382 "The following features have been implemented:",
383 "3D view, rotation, translation and scaling of your molecule(s),",
384 "labels on atoms, animation of trajectories,",
385 "hardcopy in PostScript format, user defined atom-filters",
386 "runs on MIT-X (real X), open windows and motif,",
387 "user friendly menus, option to remove periodicity, option to",
388 "show computational box.[PAR]",
389 "Some of the more common X command line options can be used: ",
390 "[TT]-bg[tt], [TT]-fg[tt] change colors, [TT]-font fontname[tt] changes the font."
392 const char *bugs[] = {
393 "Balls option does not work",
394 "Some times dumps core without a good reason"
399 { efTRX, "-f", NULL, ffREAD },
400 { efTPX, NULL, NULL, ffREAD },
401 { efNDX, NULL, NULL, ffOPTRD }
403 #define NFILE asize(fnm)
405 if (parse_common_args(&argc, argv, PCA_CAN_TIME, NFILE, fnm,
406 0, NULL, asize(desc), desc, asize(bugs), bugs, &oenv))
409 fprintf(stderr, "Compiled without X-Windows - can not run viewer.\n");
413 if ((x11 = GetX11(&argc, argv)) == NULL)
415 fprintf(stderr, "Can't connect to X Server.\n"
416 "Check your DISPLAY environment variable\n");
420 init_gmx(x11, argv[0], NFILE, fnm, oenv);