3 * This source code is part of
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10 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
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33 * Gyas ROwers Mature At Cryogenic Speed
45 #include "gmx_fatal.h"
63 /* Forward declarations: I Don't want all that init shit here */
64 void init_gmx(t_x11 *x11, char *program, int nfile, t_filenm fnm[],
65 const output_env_t oenv);
67 static void dump_it(t_manager *man)
71 ps = ps_open("view.ps", 0, 0, man->molw->wd.width, man->molw->wd.height);
76 static void done_gmx(t_x11 *x11, t_gmx *gmx)
78 done_logo(x11, gmx->logo);
79 done_pd(x11, gmx->pd);
80 done_man(x11, gmx->man);
82 x11->UnRegisterCallback(x11, gmx->wd->self);
85 static void move_gmx(t_x11 *x11, t_gmx *gmx, int width, int height,
90 fprintf(stderr, "Move gmx %dx%d\n", width, height);
92 y0 = XTextHeight(x11->font);
96 XResizeWindow(x11->disp, gmx->pd->wd.self, width, y0);
99 XMoveWindow(x11->disp, gmx->man->wd.self, 0, y0+1);
100 XResizeWindow(x11->disp, gmx->man->wd.self, width, height-y0-1);
102 wl = gmx->logo->wd.width;
103 hl = gmx->logo->wd.height;
104 XMoveWindow(x11->disp, gmx->logo->wd.self, (width-wl)/2, (height-y0-hl)/2);
107 static bool HandleClient(t_x11 *x11, int ID, t_gmx *gmx)
117 write_gmx(x11, gmx, IDDODUMP);
120 if (gmx->man->bAnimate)
122 hide_but(x11, gmx->man->vbox);
125 if (gmx->man->bAnimate)
127 show_but(x11, gmx->man->vbox);
133 ShowDlg(gmx->dlgs[edExport]);
136 write_sto_conf(gmx->confout, *gmx->man->top.name,
137 &(gmx->man->top.atoms),
138 gmx->man->x, NULL, gmx->man->molw->ePBC, gmx->man->box);
141 show_mb(gmx, emQuit);
149 edit_file("topol.gmx");
152 edit_file("confin.gmx");
155 edit_file("mdparin.gmx");
162 ShowDlg(gmx->dlgs[edFilter]);
166 do_filter(x11, gmx->man, gmx->filter);
169 check_pd_item(pd, IDANIMATE, toggle_animate(x11, gmx->man));
172 no_labels(x11, gmx->man);
175 reset_view(gmx->man->view);
176 ExposeWin(x11->disp, gmx->man->molw->wd.self);
179 show_mb(gmx, emNotImplemented);
182 ShowDlg(gmx->dlgs[edBonds]);
185 set_bond_type(x11, gmx->man->molw, eBThin);
188 set_bond_type(x11, gmx->man->molw, eBFat);
191 set_bond_type(x11, gmx->man->molw, eBVeryFat);
194 set_bond_type(x11, gmx->man->molw, eBSpheres);
197 set_box_type(x11, gmx->man->molw, esbNone);
200 set_box_type(x11, gmx->man->molw, esbRect);
203 set_box_type(x11, gmx->man->molw, esbTri);
206 set_box_type(x11, gmx->man->molw, esbTrunc);
217 show_mb(gmx, emNotImplemented);
222 show_mb(gmx, emHelp);
225 show_logo(x11, gmx->logo);
234 static bool MainCallBack(t_x11 *x11, XEvent *event, Window w, void *data)
237 int nsel, width, height;
245 hide_pd(x11, gmx->pd);
247 case ConfigureNotify:
248 width = event->xconfigure.width;
249 height = event->xconfigure.height;
250 if ((width != gmx->wd->width) || (height != gmx->wd->height))
252 move_gmx(x11, gmx, width, height, true);
256 hide_pd(x11, gmx->pd);
257 nsel = event->xclient.data.l[0];
258 result = HandleClient(x11, nsel, gmx);
268 int gmx_view(int argc, char *argv[])
270 const char *desc[] = {
271 "[TT]view[tt] is the GROMACS trajectory viewer. This program reads a",
272 "trajectory file, a run input file and an index file and plots a",
273 "3D structure of your molecule on your standard X Window",
274 "screen. No need for a high end graphics workstation, it even",
275 "works on Monochrome screens.[PAR]",
276 "The following features have been implemented:",
277 "3D view, rotation, translation and scaling of your molecule(s),",
278 "labels on atoms, animation of trajectories,",
279 "hardcopy in PostScript format, user defined atom-filters",
280 "runs on MIT-X (real X), open windows and motif,",
281 "user friendly menus, option to remove periodicity, option to",
282 "show computational box.[PAR]",
283 "Some of the more common X command line options can be used: ",
284 "[TT]-bg[tt], [TT]-fg[tt] change colors, [TT]-font fontname[tt] changes the font."
286 const char *bugs[] = {
287 "Balls option does not work",
288 "Some times dumps core without a good reason"
293 { efTRX, "-f", NULL, ffREAD },
294 { efTPX, NULL, NULL, ffREAD },
295 { efNDX, NULL, NULL, ffOPTRD }
297 #define NFILE asize(fnm)
299 if (parse_common_args(&argc, argv, PCA_CAN_TIME, NFILE, fnm,
300 0, NULL, asize(desc), desc, asize(bugs), bugs, &oenv))
303 fprintf(stderr, "Compiled without X-Windows - can not run viewer.\n");
307 if ((x11 = GetX11(&argc, argv)) == NULL)
309 fprintf(stderr, "Can't connect to X Server.\n"
310 "Check your DISPLAY environment variable\n");
314 init_gmx(x11, argv[0], NFILE, fnm, oenv);
324 static t_mentry FileMenu[] = {
325 { 0, IDEXPORT, false, "Export..." },
326 { 0, IDDUMPWIN, false, "Print" },
327 { 0, IDQUIT, false, "Quit" }
330 static t_mentry DispMenu[] = {
331 { 0, IDFILTER, false, "Filter..." },
332 { 0, IDANIMATE, false, "Animate" },
333 { 0, IDLABELSOFF, false, "Labels Off"},
334 { 0, IDRESETVIEW, false, "Reset View"},
335 { 0, IDBONDOPTS, false, "Options..."}
338 static t_mentry HelpMenu[] = {
339 { 0, IDHELP, false, "Help" },
340 { 0, IDABOUT, false, "About Gromacs..." }
343 static t_mentry *gmx_pd[] = { FileMenu, DispMenu, HelpMenu };
345 #define MSIZE asize(gmx_pd)
347 static int gmx_pd_size[MSIZE] = {
348 asize(FileMenu), asize(DispMenu), asize(HelpMenu)
351 static const char *MenuTitle[MSIZE] = {
352 "File", "Display", "Help"
355 void init_gmx(t_x11 *x11, char *program, int nfile, t_filenm fnm[],
356 const output_env_t oenv)
362 int natom, natom_trx;
373 ePBC = read_tpx_top(ftp2fn(efTPX, nfile, fnm),
374 NULL, box, &natom, NULL, NULL, NULL, &top);
376 read_first_frame(oenv, &status, ftp2fn(efTRX, nfile, fnm), &fr, TRX_DONT_SKIP);
378 natom_trx = fr.natoms;
380 /* Creates a simple window */
381 w0 = DisplayWidth(x11->disp, x11->screen)-132;
382 h0 = DisplayHeight(x11->disp, x11->screen)-140;
384 InitWin(gmx->wd, 0, 0, w0, h0, 3, quote);
385 gmx->wd->self = XCreateSimpleWindow(x11->disp, x11->root,
386 gmx->wd->x, gmx->wd->y,
387 gmx->wd->width, gmx->wd->height,
388 gmx->wd->bwidth, WHITE, BLACK);
389 pm = XCreatePixmapFromBitmapData(x11->disp, x11->root,
390 (char *)gromacs_bits, gromacs_width,
393 hints.flags = PMinSize;
394 hints.min_width = 2*EWIDTH+40;
395 hints.min_height = EHEIGHT+LDHEIGHT+LEGHEIGHT+40;
396 XSetStandardProperties(x11->disp, gmx->wd->self, gmx->wd->text, program,
397 pm, NULL, 0, &hints);
399 x11->RegisterCallback(x11, gmx->wd->self, x11->root, MainCallBack, gmx);
400 x11->SetInputMask(x11, gmx->wd->self,
401 ButtonPressMask | ButtonReleaseMask |
402 OwnerGrabButtonMask | ExposureMask |
403 StructureNotifyMask);
405 /* The order of creating windows is important here! */
407 gmx->man = init_man(x11, gmx->wd->self, 0, 0, 1, 1, WHITE, BLACK, ePBC, box, oenv);
408 gmx->logo = init_logo(x11, gmx->wd->self, false);
410 /* Now put all windows in the proper place */
411 move_gmx(x11, gmx, w0, h0, false);
413 XMapWindow(x11->disp, gmx->wd->self);
414 map_man(x11, gmx->man);
417 gmx->pd = init_pd(x11, gmx->wd->self, gmx->wd->width,
419 MSIZE, gmx_pd_size, gmx_pd, MenuTitle);
421 /* Dialogs & Filters */
423 gmx->filter = init_filter(&(top.atoms), ftp2fn_null(efNDX, nfile, fnm),
428 /* Now do file shit */
429 set_file(x11, gmx->man, ftp2fn(efTRX, nfile, fnm), ftp2fn(efTPX, nfile, fnm));
431 ShowDlg(gmx->dlgs[edFilter]);