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33 * Gyas ROwers Mature At Cryogenic Speed
45 #include "gmx_fatal.h"
59 /* Forward declarations: I Don't want all that init shit here */
60 void init_gmx(t_x11 *x11, char *program, int nfile, t_filenm fnm[],
61 const output_env_t oenv);
63 static void dump_xw(char *dispname, Window w, char *fn)
68 sprintf(comm, "xwd -id %d -display %s > %s", (int)w, dispname, fn);
71 printf("Warning-- No calls to system(3) supported on this platform.");
72 printf("Warning-- Skipping execution of 'system(\"%s\")'.", buf);
78 static void dump_it(t_manager *man)
82 ps = ps_open("ngmx.ps", 0, 0, man->molw->wd.width, man->molw->wd.height);
87 static void done_gmx(t_x11 *x11, t_gmx *gmx)
89 done_logo(x11, gmx->logo);
90 done_pd(x11, gmx->pd);
91 done_man(x11, gmx->man);
93 x11->UnRegisterCallback(x11, gmx->wd->self);
96 static void move_gmx(t_x11 *x11, t_gmx *gmx, int width, int height,
101 fprintf(stderr, "Move gmx %dx%d\n", width, height);
103 y0 = XTextHeight(x11->font);
107 XResizeWindow(x11->disp, gmx->pd->wd.self, width, y0);
110 XMoveWindow(x11->disp, gmx->man->wd.self, 0, y0+1);
111 XResizeWindow(x11->disp, gmx->man->wd.self, width, height-y0-1);
113 wl = gmx->logo->wd.width;
114 hl = gmx->logo->wd.height;
115 XMoveWindow(x11->disp, gmx->logo->wd.self, (width-wl)/2, (height-y0-hl)/2);
118 static gmx_bool HandleClient(t_x11 *x11, int ID, t_gmx *gmx)
128 write_gmx(x11, gmx, IDDODUMP);
131 if (gmx->man->bAnimate)
133 hide_but(x11, gmx->man->vbox);
136 if (gmx->man->bAnimate)
138 show_but(x11, gmx->man->vbox);
144 ShowDlg(gmx->dlgs[edExport]);
147 write_sto_conf(gmx->confout, *gmx->man->top.name,
148 &(gmx->man->top.atoms),
149 gmx->man->x, NULL, gmx->man->molw->ePBC, gmx->man->box);
152 show_mb(gmx, emQuit);
160 edit_file("topol.gmx");
163 edit_file("confin.gmx");
166 edit_file("mdparin.gmx");
173 ShowDlg(gmx->dlgs[edFilter]);
177 do_filter(x11, gmx->man, gmx->filter);
180 check_pd_item(pd, IDANIMATE, toggle_animate(x11, gmx->man));
183 no_labels(x11, gmx->man);
186 reset_view(gmx->man->view);
187 ExposeWin(x11->disp, gmx->man->molw->wd.self);
190 show_mb(gmx, emNotImplemented);
193 ShowDlg(gmx->dlgs[edBonds]);
196 set_bond_type(x11, gmx->man->molw, eBThin);
199 set_bond_type(x11, gmx->man->molw, eBFat);
202 set_bond_type(x11, gmx->man->molw, eBVeryFat);
205 set_bond_type(x11, gmx->man->molw, eBSpheres);
208 set_box_type(x11, gmx->man->molw, esbNone);
211 set_box_type(x11, gmx->man->molw, esbRect);
214 set_box_type(x11, gmx->man->molw, esbTri);
217 set_box_type(x11, gmx->man->molw, esbTrunc);
228 show_mb(gmx, emNotImplemented);
233 show_mb(gmx, emHelp);
236 show_logo(x11, gmx->logo);
245 static gmx_bool MainCallBack(t_x11 *x11, XEvent *event, Window w, void *data)
248 int nsel, width, height;
256 hide_pd(x11, gmx->pd);
258 case ConfigureNotify:
259 width = event->xconfigure.width;
260 height = event->xconfigure.height;
261 if ((width != gmx->wd->width) || (height != gmx->wd->height))
263 move_gmx(x11, gmx, width, height, TRUE);
267 hide_pd(x11, gmx->pd);
268 nsel = event->xclient.data.l[0];
269 result = HandleClient(x11, nsel, gmx);
277 int main(int argc, char *argv[])
279 const char *desc[] = {
280 "[TT]ngmx[tt] is the GROMACS trajectory viewer. This program reads a",
281 "trajectory file, a run input file and an index file and plots a",
282 "3D structure of your molecule on your standard X Window",
283 "screen. No need for a high end graphics workstation, it even",
284 "works on Monochrome screens.[PAR]",
285 "The following features have been implemented:",
286 "3D view, rotation, translation and scaling of your molecule(s),",
287 "labels on atoms, animation of trajectories,",
288 "hardcopy in PostScript format, user defined atom-filters",
289 "runs on MIT-X (real X), open windows and motif,",
290 "user friendly menus, option to remove periodicity, option to",
291 "show computational box.[PAR]",
292 "Some of the more common X command line options can be used: ",
293 "[TT]-bg[tt], [TT]-fg[tt] change colors, [TT]-font fontname[tt] changes the font."
295 const char *bugs[] = {
296 "Balls option does not work",
297 "Some times dumps core without a good reason"
303 { efTRX, "-f", NULL, ffREAD },
304 { efTPX, NULL, NULL, ffREAD },
305 { efNDX, NULL, NULL, ffOPTRD }
307 #define NFILE asize(fnm)
309 CopyRight(stderr, argv[0]);
310 parse_common_args(&argc, argv, PCA_CAN_TIME, NFILE, fnm,
311 0, NULL, asize(desc), desc, asize(bugs), bugs, &oenv);
313 if ((x11 = GetX11(&argc, argv)) == NULL)
315 fprintf(stderr, "Can't connect to X Server.\n"
316 "Check your DISPLAY environment variable\n");
319 init_gmx(x11, argv[0], NFILE, fnm, oenv);
329 static t_mentry FileMenu[] = {
330 { 0, IDEXPORT, FALSE, "Export..." },
331 { 0, IDDUMPWIN, FALSE, "Print" },
332 { 0, IDQUIT, FALSE, "Quit" }
335 static t_mentry DispMenu[] = {
336 { 0, IDFILTER, FALSE, "Filter..." },
337 { 0, IDANIMATE, FALSE, "Animate" },
338 { 0, IDLABELSOFF, FALSE, "Labels Off"},
339 { 0, IDRESETVIEW, FALSE, "Reset View"},
340 { 0, IDBONDOPTS, FALSE, "Options..."}
343 static t_mentry HelpMenu[] = {
344 { 0, IDHELP, FALSE, "Help" },
345 { 0, IDABOUT, FALSE, "About Gromacs..." }
348 static t_mentry *gmx_pd[] = { FileMenu, DispMenu, HelpMenu };
350 #define MSIZE asize(gmx_pd)
352 static int gmx_pd_size[MSIZE] = {
353 asize(FileMenu), asize(DispMenu), asize(HelpMenu)
356 static const char *MenuTitle[MSIZE] = {
357 "File", "Display", "Help"
360 void init_gmx(t_x11 *x11, char *program, int nfile, t_filenm fnm[],
361 const output_env_t oenv)
367 int natom, nre, natom_trx;
378 ePBC = read_tpx_top(ftp2fn(efTPX, nfile, fnm),
379 NULL, box, &natom, NULL, NULL, NULL, &top);
381 read_first_frame(oenv, &status, ftp2fn(efTRX, nfile, fnm), &fr, TRX_DONT_SKIP);
383 natom_trx = fr.natoms;
385 /* Creates a simple window */
386 w0 = DisplayWidth(x11->disp, x11->screen)-132;
387 h0 = DisplayHeight(x11->disp, x11->screen)-140;
389 InitWin(gmx->wd, 0, 0, w0, h0, 3, quote);
390 gmx->wd->self = XCreateSimpleWindow(x11->disp, x11->root,
391 gmx->wd->x, gmx->wd->y,
392 gmx->wd->width, gmx->wd->height,
393 gmx->wd->bwidth, WHITE, BLACK);
394 pm = XCreatePixmapFromBitmapData(x11->disp, x11->root,
395 (char *)gromacs_bits, gromacs_width,
398 hints.flags = PMinSize;
399 hints.min_width = 2*EWIDTH+40;
400 hints.min_height = EHEIGHT+LDHEIGHT+LEGHEIGHT+40;
401 XSetStandardProperties(x11->disp, gmx->wd->self, gmx->wd->text, program,
402 pm, NULL, 0, &hints);
404 x11->RegisterCallback(x11, gmx->wd->self, x11->root, MainCallBack, gmx);
405 x11->SetInputMask(x11, gmx->wd->self,
406 ButtonPressMask | ButtonReleaseMask |
407 OwnerGrabButtonMask | ExposureMask |
408 StructureNotifyMask);
410 /* The order of creating windows is important here! */
412 gmx->man = init_man(x11, gmx->wd->self, 0, 0, 1, 1, WHITE, BLACK, ePBC, box, oenv);
413 gmx->logo = init_logo(x11, gmx->wd->self, FALSE);
415 /* Now put all windows in the proper place */
416 move_gmx(x11, gmx, w0, h0, FALSE);
418 XMapWindow(x11->disp, gmx->wd->self);
419 map_man(x11, gmx->man);
422 gmx->pd = init_pd(x11, gmx->wd->self, gmx->wd->width,
423 XTextHeight(x11->font), x11->fg, x11->bg,
424 MSIZE, gmx_pd_size, gmx_pd, MenuTitle);
426 /* Dialogs & Filters */
428 gmx->filter = init_filter(&(top.atoms), ftp2fn_null(efNDX, nfile, fnm),
433 /* Now do file shit */
434 set_file(x11, gmx->man, ftp2fn(efTRX, nfile, fnm), ftp2fn(efTPX, nfile, fnm));
436 /*show_logo(x11,gmx->logo);*/
438 ShowDlg(gmx->dlgs[edFilter]);