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47 #include "gromacs/commandline/pargs.h"
48 #include "gromacs/fileio/confio.h"
49 #include "gromacs/fileio/oenv.h"
50 #include "gromacs/fileio/tpxio.h"
51 #include "gromacs/trajectory/trajectoryframe.h"
52 #include "gromacs/utility/arraysize.h"
53 #include "gromacs/utility/coolstuff.h"
54 #include "gromacs/utility/fatalerror.h"
55 #include "gromacs/utility/smalloc.h"
59 #include "gromacs/fileio/writeps.h"
68 static void dump_it(t_manager *man)
72 ps = ps_open("view.ps", 0, 0, man->molw->wd.width, man->molw->wd.height);
77 static void done_gmx(t_x11 *x11, t_gmx *gmx)
79 done_logo(x11, gmx->logo);
80 done_pd(x11, gmx->pd);
81 done_man(x11, gmx->man);
83 x11->UnRegisterCallback(x11, gmx->wd->self);
86 static void move_gmx(t_x11 *x11, t_gmx *gmx, int width, int height,
91 std::fprintf(stderr, "Move gmx %dx%d\n", width, height);
93 y0 = XTextHeight(x11->font);
97 XResizeWindow(x11->disp, gmx->pd->wd.self, width, y0);
100 XMoveWindow(x11->disp, gmx->man->wd.self, 0, y0+1);
101 XResizeWindow(x11->disp, gmx->man->wd.self, width, height-y0-1);
103 wl = gmx->logo->wd.width;
104 hl = gmx->logo->wd.height;
105 XMoveWindow(x11->disp, gmx->logo->wd.self, (width-wl)/2, (height-y0-hl)/2);
108 static bool HandleClient(t_x11 *x11, int ID, t_gmx *gmx)
118 write_gmx(x11, gmx, IDDODUMP);
121 if (gmx->man->bAnimate)
123 hide_but(x11, gmx->man->vbox);
126 if (gmx->man->bAnimate)
128 show_but(x11, gmx->man->vbox);
134 ShowDlg(gmx->dlgs[edExport]);
137 write_sto_conf(gmx->confout, *gmx->man->top.name,
138 &(gmx->man->top.atoms),
139 gmx->man->x, nullptr, gmx->man->molw->ePBC, gmx->man->box);
142 show_mb(gmx, emQuit);
150 edit_file("topol.gmx");
153 edit_file("confin.gmx");
156 edit_file("mdparin.gmx");
163 ShowDlg(gmx->dlgs[edFilter]);
167 do_filter(x11, gmx->man, gmx->filter);
170 check_pd_item(pd, IDANIMATE, toggle_animate(x11, gmx->man));
173 no_labels(x11, gmx->man);
176 reset_view(gmx->man->view);
177 ExposeWin(x11->disp, gmx->man->molw->wd.self);
180 show_mb(gmx, emNotImplemented);
183 ShowDlg(gmx->dlgs[edBonds]);
186 set_bond_type(x11, gmx->man->molw, eBThin);
189 set_bond_type(x11, gmx->man->molw, eBFat);
192 set_bond_type(x11, gmx->man->molw, eBVeryFat);
195 set_bond_type(x11, gmx->man->molw, eBSpheres);
198 set_box_type(x11, gmx->man->molw, esbNone);
201 set_box_type(x11, gmx->man->molw, esbRect);
204 set_box_type(x11, gmx->man->molw, esbTri);
207 set_box_type(x11, gmx->man->molw, esbTrunc);
218 show_mb(gmx, emNotImplemented);
223 show_mb(gmx, emHelp);
226 show_logo(x11, gmx->logo);
235 static bool MainCallBack(t_x11 *x11, XEvent *event, Window /*w*/, void *data)
238 int nsel, width, height;
246 hide_pd(x11, gmx->pd);
248 case ConfigureNotify:
249 width = event->xconfigure.width;
250 height = event->xconfigure.height;
251 if ((width != gmx->wd->width) || (height != gmx->wd->height))
253 move_gmx(x11, gmx, width, height, true);
257 hide_pd(x11, gmx->pd);
258 nsel = event->xclient.data.l[0];
259 result = HandleClient(x11, nsel, gmx);
267 static t_mentry FileMenu[] = {
268 { 0, IDEXPORT, false, "Export..." },
269 { 0, IDDUMPWIN, false, "Print" },
270 { 0, IDQUIT, false, "Quit" }
273 static t_mentry DispMenu[] = {
274 { 0, IDFILTER, false, "Filter..." },
275 { 0, IDANIMATE, false, "Animate" },
276 { 0, IDLABELSOFF, false, "Labels Off"},
277 { 0, IDRESETVIEW, false, "Reset View"},
278 { 0, IDBONDOPTS, false, "Options..."}
281 static t_mentry HelpMenu[] = {
282 { 0, IDHELP, false, "Help" },
283 { 0, IDABOUT, false, "About GROMACS..." }
286 static t_mentry *gmx_pd[] = { FileMenu, DispMenu, HelpMenu };
288 #define MSIZE asize(gmx_pd)
290 static int gmx_pd_size[MSIZE] = {
291 asize(FileMenu), asize(DispMenu), asize(HelpMenu)
294 static const char *MenuTitle[MSIZE] = {
295 "File", "Display", "Help"
298 static void init_gmx(t_x11 *x11, char *program, int nfile, t_filenm fnm[],
299 gmx_output_env_t *oenv)
305 int natom, natom_trx;
315 ePBC = read_tpx_top(ftp2fn(efTPR, nfile, fnm),
316 nullptr, box, &natom, nullptr, nullptr, &top);
318 read_first_frame(oenv, &status, ftp2fn(efTRX, nfile, fnm), &fr, TRX_DONT_SKIP);
320 natom_trx = fr.natoms;
322 /* Creates a simple window */
323 w0 = DisplayWidth(x11->disp, x11->screen)-132;
324 h0 = DisplayHeight(x11->disp, x11->screen)-140;
325 InitWin(gmx->wd, 0, 0, w0, h0, 3, gmx::bromacs().c_str());
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, nullptr, 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 operations */
370 set_file(x11, gmx->man, ftp2fn(efTRX, nfile, fnm), ftp2fn(efTPR, 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"
399 gmx_output_env_t *oenv;
401 { efTRX, "-f", nullptr, ffREAD },
402 { efTPR, nullptr, nullptr, ffREAD },
403 { efNDX, nullptr, nullptr, ffOPTRD }
405 #define NFILE asize(fnm)
407 if (parse_common_args(&argc, argv, PCA_CAN_TIME, NFILE, fnm,
408 0, nullptr, asize(desc), desc, asize(bugs), bugs, &oenv))
411 std::fprintf(stderr, "Compiled without X-Windows - can not run viewer.\n");
415 if ((x11 = GetX11(&argc, argv)) == nullptr)
417 std::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);