src/ngmx/dialogs.h

   1 /*
   2  * $Id$
   3  *
   4  *       This source code is part of
   5  *
   6  *        G   R   O   M   A   C   S
   7  *
   8  * GROningen MAchine for Chemical Simulations
   9  *
  10  *               VERSION 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Great Red Oystrich Makes All Chemists Sane
  28  */
  29
  30 #ifndef _dialogs_h
  31 #define _dialogs_h
  32
  33 static char *SRCID_dialogs_h = "$Id$";
  34
  35 #include "xdlg.h"
  36 #include "pulldown.h"
  37 #include "manager.h"
  38 #include "logo.h"
  39
  40 typedef struct {
  41   bool  bMapped;
  42   t_dlg *dlg;
  43 } t_dialogs;
  44
  45 typedef enum { edExport, edBonds, edFilter, edNR } eDialogs;
  46
  47 typedef enum {
  48   emQuit, emHelp, emAbout, emNotImplemented, emNR
  49 } eMBoxes;
  50
  51 typedef enum {
  52   eExpGromos, eExpPDB, eExpNR
  53 } eExport;
  54
  55 typedef struct {
  56   char         confout[256];    /* Export file                  */
  57   int          ExpMode;         /* Export mode                  */
  58   t_dlg        **dlgs;          /* Temporary storage for dlgs   */
  59   int          which_mb;        /* Which mb is visible          */
  60   t_dlg        **mboxes;        /* id for message boxes         */
  61   t_filter     *filter;         /* Filter for visibility etc.   */
  62   t_windata    *wd;             /* The main window              */
  63   t_pulldown   *pd;             /* The pull-down menu           */
  64   t_manager    *man;            /* The manager                  */
  65   /*t_statrec    *sr;*/         /* The statistics dlg           */
  66   t_logo       *logo;           /* The gromacs logo             */
  67 } t_gmx;
  68
  69 enum {
  70   IDNEW,IDOPEN,IDOPENED,IDCLOSE,IDIMPORT,IDEXPORT,IDDOEXPORT,IDQUIT,IDTERM,
  71   IDEDITTOP,IDEDITCOORDS,IDEDITPARAMS,
  72   IDGROMPP,IDRUNMD,IDDOGROMPP,IDGSTAT,IDDOGSTAT,IDDORUNMD,
  73   IDFILTER,IDDOFILTER,
  74   IDANIMATE,IDSHOWBOX,IDRMPBC,IDHYDROGEN,IDLABELSOFF,IDRESETVIEW,IDPHOTO,
  75   IDDUMPWIN,IDDODUMP,
  76   IDBONDOPTS,IDTHIN,IDFAT,IDVERYFAT,IDBALLS,
  77   IDBOND,IDANGLE,IDDIH,IDRMS,IDRDF,IDENERGIES,IDCORR,
  78   IDHELP,IDABOUT,
  79
  80   /* Last line specifies how many IDs there are */
  81   IDMENUNR
  82   };
  83
  84 extern void run_grompp(t_gmx *gmx);
  85
  86 extern void run_mdrun(t_gmx *gmx);
  87
  88 extern void write_gmx(t_x11 *x11,t_gmx *gmx,int mess);
  89
  90 /*extern void run_sr(t_statrec *sr);
  91
  92 extern t_statrec *init_sr();*/
  93
  94 extern void init_dlgs(t_x11 *x11,t_gmx *gmx);
  95
  96 extern void show_mb(t_gmx *gmx,int mb);
  97
  98 extern void done_dlgs(t_gmx *gmx);
  99
 100 extern void edit_file(char *fn);
 101
 102 extern t_filter *init_filter(t_atoms *atoms, char *fn);
 103
 104 extern t_dlg *select_filter(t_x11 *x11,t_gmx *gmx);
 105
 106 #endif