3 * This source code is part of
7 * GROningen MAchine for Chemical Simulations
10 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
11 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
12 * Copyright (c) 2001-2004, The GROMACS development team,
13 * check out http://www.gromacs.org for more information.
15 * This program is free software; you can redistribute it and/or
16 * modify it under the terms of the GNU General Public License
17 * as published by the Free Software Foundation; either version 2
18 * of the License, or (at your option) any later version.
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21 * scientific software is very special. Version control is crucial -
22 * bugs must be traceable. We will be happy to consider code for
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33 * Gyas ROwers Mature At Cryogenic Speed
51 #include "gmx_fatal.h"
53 #define MBFLAGS /* MB_APPLMODAL | */ MB_DONTSHOW
55 void write_gmx(t_x11 *x11,t_gmx *gmx,int mess)
59 letter.type=ClientMessage;
60 letter.xclient.display=x11->disp;
61 letter.xclient.window=gmx->wd->self;
62 letter.xclient.message_type=0;
63 letter.xclient.format=32;
64 letter.xclient.data.l[0]=mess;
65 letter.xclient.data.l[1]=Button1;
66 XSendEvent(x11->disp,letter.xclient.window,True,0,&letter);
69 static void shell_comm(const char *title,const char *script,int nsleep)
75 strcpy(tmp,"dialogXXXXXX");
78 if ((tfil = fopen(tmp,"w")) == NULL) {
79 sprintf(tmp,"%ctmp%cdialogXXXXXX",DIR_SEPARATOR,DIR_SEPARATOR);
82 if ((tfil = fopen(tmp,"w")) == NULL)
83 gmx_fatal(FARGS,"Can not open tmp file %s",tmp);
85 fprintf(tfil,"%s\n",script);
86 fprintf(tfil,"sleep %d\n",nsleep);
89 sprintf(command,"xterm -title %s -e sh %s",title,tmp);
91 fprintf(stderr,"command: %s\n",command);
95 printf("Warning-- No calls to system(3) supported on this platform.");
96 printf("Warning-- Skipping execution of 'system(\"%s\")'.", buf);
98 if(0 != system(command))
100 gmx_fatal(FARGS,"Failed to execute command: %s",command);
109 void show_mb(t_gmx *gmx,int mb)
111 if (mb >=0 && mb < emNR) {
113 ShowDlg(gmx->mboxes[mb]);
117 static void hide_mb(t_gmx *gmx)
119 if (gmx->which_mb >= 0 && gmx->which_mb < emNR) {
120 HideDlg(gmx->mboxes[gmx->which_mb]);
125 static void MBCallback(t_x11 *x11,int dlg_mess,int item_id,
126 char *set,void *data)
131 if (dlg_mess==DLG_EXIT)
135 static t_dlg *about_mb(t_x11 *x11,t_gmx *gmx)
139 " Machine for Simulating Chemistry",
140 " Copyright (c) 1992-2000",
141 " Dept. of Biophysical Chemistry",
142 " University of Groningen"
145 return MessageBox(x11,gmx->wd->self,gmx->wd->text,
146 asize(lines),lines,MB_OK | MB_ICONGMX | MBFLAGS,
150 static void QuitCB(t_x11 *x11,int dlg_mess,int item_id,
151 char *set,void *data)
157 if (dlg_mess==DLG_EXIT) {
158 if (gmx_strcasecmp("yes",set)==0)
159 write_gmx(x11,gmx,IDTERM);
163 static t_dlg *quit_mb(t_x11 *x11,t_gmx *gmx)
166 " Do you really want to Quit ?"
169 return MessageBox(x11,gmx->wd->self,gmx->wd->text,
171 MB_YESNO | MB_ICONSTOP | MBFLAGS,
175 static t_dlg *help_mb(t_x11 *x11,t_gmx *gmx)
178 " Help will soon be added"
181 return MessageBox(x11,gmx->wd->self,gmx->wd->text,
183 MB_OK | MB_ICONINFORMATION | MBFLAGS,
187 static t_dlg *ni_mb(t_x11 *x11,t_gmx *gmx)
190 " This feature has not been",
194 return MessageBox(x11,gmx->wd->self,gmx->wd->text,
196 MB_OK | MB_ICONEXCLAMATION | MBFLAGS,
200 enum { eExE, eExGrom, eExPdb, eExConf, eExNR };
202 static void ExportCB(t_x11 *x11,int dlg_mess,int item_id,
203 char *set,void *data)
210 dlg=gmx->dlgs[edExport];
215 gmx->ExpMode=eExpGromos;
218 gmx->ExpMode=eExpPDB;
224 fprintf(stderr,"exportcb: item_id=%d\n",item_id);
228 if ((bOk=(gmx_strcasecmp("ok",set))==0))
229 strcpy(gmx->confout,EditText(dlg,eExConf));
232 write_gmx(x11,gmx,IDDOEXPORT);
237 enum { eg0, egTOPOL, egCONFIN, egPARAM, eg1, eg1PROC, eg32PROC };
239 static void Extract(t_dlg *dlg,int ID,char *buf)
248 enum bond_set { ebShowH=11, ebDPlus, ebRMPBC, ebCue, ebSkip, ebWait };
250 static void BondsCB(t_x11 *x11,int dlg_mess,int item_id,
251 char *set,void *data)
255 gmx_bool bOk,bBond=FALSE;
261 ebond = gmx->man->molw->bond_type;
262 ebox = gmx->man->molw->boxtype;
266 if (item_id <= eBNR) {
270 else if (item_id <= eBNR+esbNR+1) {
271 ebox = item_id-eBNR-2;
276 #define DO_NOT(b) (b) = (!(b))
280 toggle_hydrogen(x11,gmx->man->molw);
283 DO_NOT(gmx->man->bPlus);
285 fprintf(stderr,"gmx->man->bPlus=%s\n",gmx_bool_names[gmx->man->bPlus]);
289 set_box_type(x11,gmx->man->molw,ebond);
292 toggle_pbc(gmx->man);
295 DO_NOT(gmx->man->bSort);
297 fprintf(stderr,"gmx->man->bSort=%s\n",gmx_bool_names[gmx->man->bSort]);
301 sscanf(set,"%d",&nskip);
303 fprintf(stderr,"nskip: %d frames\n",nskip);
306 gmx->man->nSkip=nskip;
309 sscanf(set,"%d",&nwait);
311 fprintf(stderr,"wait: %d ms\n",nwait);
314 gmx->man->nWait=nwait;
317 fprintf(stderr,"item_id: %d, set: %s\n",item_id,set);
324 bOk=(gmx_strcasecmp("ok",set)==0);
325 HideDlg(gmx->dlgs[edBonds]);
330 write_gmx(x11,gmx,IDTHIN);
333 write_gmx(x11,gmx,IDFAT);
336 write_gmx(x11,gmx,IDVERYFAT);
339 write_gmx(x11,gmx,IDBALLS);
342 gmx_fatal(FARGS,"Invalid bond type %d at %s, %d",
343 ebond,__FILE__,__LINE__);
349 write_gmx(x11,gmx,IDNOBOX);
352 write_gmx(x11,gmx,IDRECTBOX);
355 write_gmx(x11,gmx,IDTRIBOX);
358 write_gmx(x11,gmx,IDTOBOX);
361 gmx_fatal(FARGS,"Invalid box type %d at %s, %d",
362 ebox,__FILE__,__LINE__);
370 enum { esFUNCT=1, esBSHOW, esINFIL, esINDEXFIL, esLSQ, esSHOW, esPLOTFIL };
372 static gmx_bool in_set(int i,int n,int set[])
381 typedef t_dlg *t_mmb(t_x11 *x11,t_gmx *gmx);
395 void init_dlgs(t_x11 *x11,t_gmx *gmx)
397 static t_dlginit di[] = {
398 { edExport, "export.dlg", ExportCB },
399 { edBonds, "bonds.dlg", BondsCB }
401 static t_mbinit mi[emNR] = {
402 { emQuit, quit_mb, QuitCB },
403 { emHelp, help_mb, MBCallback },
404 { emAbout, about_mb, MBCallback },
405 { emNotImplemented, ni_mb, MBCallback }
409 snew(gmx->dlgs,edNR);
410 for(i=0; (i<asize(di)); i++)
411 gmx->dlgs[i]=ReadDlg(x11,gmx->wd->self,di[i].dlgfile,
412 x11->fg,x11->bg,di[i].dlgfile,
413 0,0,TRUE,FALSE,di[i].cb,gmx);
415 gmx->dlgs[edFilter]=select_filter(x11,gmx);
417 snew(gmx->mboxes,emNR);
418 for(i=0; (i<emNR); i++)
419 gmx->mboxes[i]=mi[i].mmb(x11,gmx);
423 void done_dlgs(t_gmx *gmx)
427 for(i=0; (i<edNR); i++)
428 FreeDlg(gmx->dlgs[i]);
429 for(i=0; (i<emNR); i++)
430 FreeDlg(gmx->mboxes[i]);
433 void edit_file(const char *fn)
438 sprintf(script,"vi %s",fn);
439 shell_comm(fn,script,0);