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48 #include "gmx_fatal.h"
62 /* Forward declarations: I Don't want all that init shit here */
63 void init_gmx(t_x11 *x11,char *program,int nfile,t_filenm fnm[],
64 const output_env_t oenv);
66 static void dump_xw(char *dispname,Window w,char *fn)
71 sprintf(comm,"xwd -id %d -display %s > %s",(int)w,dispname,fn);
74 printf("Warning-- No calls to system(3) supported on this platform.");
75 printf("Warning-- Skipping execution of 'system(\"%s\")'.", buf);
81 static void dump_it(t_manager *man)
85 ps=ps_open("ngmx.ps",0,0,man->molw->wd.width,man->molw->wd.height);
90 static void done_gmx(t_x11 *x11,t_gmx *gmx)
92 done_logo(x11,gmx->logo);
94 done_man(x11,gmx->man);
96 x11->UnRegisterCallback(x11,gmx->wd->self);
99 static void move_gmx(t_x11 *x11,t_gmx *gmx,int width,int height,
104 fprintf(stderr,"Move gmx %dx%d\n",width,height);
106 y0=XTextHeight(x11->font);
109 XResizeWindow(x11->disp,gmx->pd->wd.self,width,y0);
111 XMoveWindow(x11->disp,gmx->man->wd.self,0,y0+1);
112 XResizeWindow(x11->disp,gmx->man->wd.self,width,height-y0-1);
114 wl=gmx->logo->wd.width;
115 hl=gmx->logo->wd.height;
116 XMoveWindow(x11->disp,gmx->logo->wd.self,(width-wl)/2,(height-y0-hl)/2);
119 static gmx_bool HandleClient(t_x11 *x11,int ID,t_gmx *gmx)
128 write_gmx(x11,gmx,IDDODUMP);
131 if (gmx->man->bAnimate)
132 hide_but(x11,gmx->man->vbox);
134 if (gmx->man->bAnimate)
135 show_but(x11,gmx->man->vbox);
140 ShowDlg(gmx->dlgs[edExport]);
143 write_sto_conf(gmx->confout,*gmx->man->top.name,
144 &(gmx->man->top.atoms),
145 gmx->man->x,NULL,gmx->man->molw->ePBC,gmx->man->box);
156 edit_file("topol.gmx");
159 edit_file("confin.gmx");
162 edit_file("mdparin.gmx");
168 ShowDlg(gmx->dlgs[edFilter]);
171 do_filter(x11,gmx->man,gmx->filter);
174 check_pd_item(pd,IDANIMATE,toggle_animate(x11,gmx->man));
177 no_labels(x11,gmx->man);
180 reset_view(gmx->man->view);
181 ExposeWin(x11->disp,gmx->man->molw->wd.self);
184 show_mb(gmx,emNotImplemented);
187 ShowDlg(gmx->dlgs[edBonds]);
190 set_bond_type(x11,gmx->man->molw,eBThin);
193 set_bond_type(x11,gmx->man->molw,eBFat);
196 set_bond_type(x11,gmx->man->molw,eBVeryFat);
199 set_bond_type(x11,gmx->man->molw,eBSpheres);
202 set_box_type(x11,gmx->man->molw,esbNone);
205 set_box_type(x11,gmx->man->molw,esbRect);
208 set_box_type(x11,gmx->man->molw,esbTri);
211 set_box_type(x11,gmx->man->molw,esbTrunc);
222 show_mb(gmx,emNotImplemented);
230 show_logo(x11,gmx->logo);
239 static gmx_bool MainCallBack(t_x11 *x11,XEvent *event, Window w, void *data)
242 int nsel,width,height;
247 switch(event->type) {
249 hide_pd(x11,gmx->pd);
251 case ConfigureNotify:
252 width=event->xconfigure.width;
253 height=event->xconfigure.height;
254 if ((width!=gmx->wd->width) || (height!=gmx->wd->height))
255 move_gmx(x11,gmx,width,height,TRUE);
258 hide_pd(x11,gmx->pd);
259 nsel=event->xclient.data.l[0];
260 result = HandleClient(x11,nsel,gmx);
268 int main(int argc, char *argv[])
270 const char *desc[] = {
271 "[TT]ngmx[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"
294 { efTRX, "-f", NULL, ffREAD },
295 { efTPX, NULL, NULL, ffREAD },
296 { efNDX, NULL, NULL, ffOPTRD }
298 #define NFILE asize(fnm)
300 CopyRight(stderr,argv[0]);
301 parse_common_args(&argc,argv,PCA_CAN_TIME,NFILE,fnm,
302 0,NULL,asize(desc),desc,asize(bugs),bugs,&oenv);
304 if ((x11=GetX11(&argc,argv))==NULL) {
305 fprintf(stderr,"Can't connect to X Server.\n"
306 "Check your DISPLAY environment variable\n");
309 init_gmx(x11,argv[0],NFILE,fnm,oenv);
319 static t_mentry FileMenu[] = {
320 { 0, IDEXPORT, FALSE, "Export..." },
321 { 0, IDDUMPWIN, FALSE, "Print" },
322 { 0, IDQUIT, FALSE, "Quit" }
325 static t_mentry DispMenu[] = {
326 { 0, IDFILTER, FALSE, "Filter..." },
327 { 0, IDANIMATE, FALSE, "Animate" },
328 { 0, IDLABELSOFF, FALSE, "Labels Off"},
329 { 0, IDRESETVIEW, FALSE, "Reset View"},
330 { 0, IDBONDOPTS, FALSE, "Options..."}
333 static t_mentry HelpMenu[] = {
334 { 0, IDHELP, FALSE, "Help" },
335 { 0, IDABOUT, FALSE, "About Gromacs..." }
338 static t_mentry *gmx_pd[] = { FileMenu, DispMenu, HelpMenu };
340 #define MSIZE asize(gmx_pd)
342 static int gmx_pd_size[MSIZE] = {
343 asize(FileMenu), asize(DispMenu), asize(HelpMenu)
346 static const char *MenuTitle[MSIZE] = {
347 "File", "Display", "Help"
350 void init_gmx(t_x11 *x11,char *program,int nfile,t_filenm fnm[],
351 const output_env_t oenv)
357 int natom,nre,natom_trx;
368 ePBC = read_tpx_top(ftp2fn(efTPX,nfile,fnm),
369 NULL,box,&natom,NULL,NULL,NULL,&top);
371 read_first_frame(oenv,&status,ftp2fn(efTRX,nfile,fnm),&fr,TRX_DONT_SKIP);
373 natom_trx = fr.natoms;
375 /* Creates a simple window */
376 w0=DisplayWidth(x11->disp,x11->screen)-132;
377 h0=DisplayHeight(x11->disp,x11->screen)-140;
379 InitWin(gmx->wd,0,0,w0,h0,3,quote);
380 gmx->wd->self=XCreateSimpleWindow(x11->disp,x11->root,
381 gmx->wd->x, gmx->wd->y,
382 gmx->wd->width,gmx->wd->height,
383 gmx->wd->bwidth,WHITE,BLACK);
384 pm=XCreatePixmapFromBitmapData(x11->disp,x11->root,
385 (char *)gromacs_bits,gromacs_width,
388 hints.flags=PMinSize;
389 hints.min_width=2*EWIDTH+40;
390 hints.min_height=EHEIGHT+LDHEIGHT+LEGHEIGHT+40;
391 XSetStandardProperties(x11->disp,gmx->wd->self,gmx->wd->text,program,
394 x11->RegisterCallback(x11,gmx->wd->self,x11->root,MainCallBack,gmx);
395 x11->SetInputMask(x11,gmx->wd->self,
396 ButtonPressMask | ButtonReleaseMask |
397 OwnerGrabButtonMask | ExposureMask |
398 StructureNotifyMask);
400 /* The order of creating windows is important here! */
402 gmx->man = init_man(x11,gmx->wd->self,0,0,1,1,WHITE,BLACK,ePBC,box,oenv);
403 gmx->logo = init_logo(x11,gmx->wd->self,FALSE);
405 /* Now put all windows in the proper place */
406 move_gmx(x11,gmx,w0,h0,FALSE);
408 XMapWindow(x11->disp,gmx->wd->self);
409 map_man(x11,gmx->man);
412 gmx->pd=init_pd(x11,gmx->wd->self,gmx->wd->width,
413 XTextHeight(x11->font),x11->fg,x11->bg,
414 MSIZE,gmx_pd_size,gmx_pd,MenuTitle);
416 /* Dialogs & Filters */
418 gmx->filter=init_filter(&(top.atoms),ftp2fn_null(efNDX,nfile,fnm),
423 /* Now do file shit */
424 set_file(x11,gmx->man,ftp2fn(efTRX,nfile,fnm),ftp2fn(efTPX,nfile,fnm));
426 /*show_logo(x11,gmx->logo);*/
428 ShowDlg(gmx->dlgs[edFilter]);