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 3.2.0
  11  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  12  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  13  * Copyright (c) 2001-2004, The GROMACS development team,
  14  * check out http://www.gromacs.org for more information.
  15
  16  * This program is free software; you can redistribute it and/or
  17  * modify it under the terms of the GNU General Public License
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  19  * of the License, or (at your option) any later version.
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  27  *
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  29  * the papers on the package - you can find them in the top README file.
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  35  */
  36
  37 #ifndef _dialogs_h
  38 #define _dialogs_h
  39
  40 #include "xdlg.h"
  41 #include "pulldown.h"
  42 #include "manager.h"
  43 #include "logo.h"
  44
  45 typedef struct {
  46   bool  bMapped;
  47   t_dlg *dlg;
  48 } t_dialogs;
  49
  50 typedef enum { edExport, edBonds, edFilter, edNR } eDialogs;
  51
  52 typedef enum {
  53   emQuit, emHelp, emAbout, emNotImplemented, emNR
  54 } eMBoxes;
  55
  56 typedef enum {
  57   eExpGromos, eExpPDB, eExpNR
  58 } eExport;
  59
  60 typedef struct {
  61   char         confout[256];    /* Export file                  */
  62   int          ExpMode;         /* Export mode                  */
  63   t_dlg        **dlgs;          /* Temporary storage for dlgs   */
  64   int          which_mb;        /* Which mb is visible          */
  65   t_dlg        **mboxes;        /* id for message boxes         */
  66   t_filter     *filter;         /* Filter for visibility etc.   */
  67   t_windata    *wd;             /* The main window              */
  68   t_pulldown   *pd;             /* The pull-down menu           */
  69   t_manager    *man;            /* The manager                  */
  70   /*t_statrec    *sr;*/         /* The statistics dlg           */
  71   t_logo       *logo;           /* The gromacs logo             */
  72 } t_gmx;
  73
  74 enum {
  75   IDNEW,IDOPEN,IDOPENED,IDCLOSE,IDIMPORT,IDEXPORT,IDDOEXPORT,IDQUIT,IDTERM,
  76   IDEDITTOP,IDEDITCOORDS,IDEDITPARAMS,
  77   IDGROMPP,IDRUNMD,IDDOGROMPP,IDGSTAT,IDDOGSTAT,IDDORUNMD,
  78   IDFILTER,IDDOFILTER,
  79   IDANIMATE,IDSHOWBOX,IDRMPBC,IDHYDROGEN,IDLABELSOFF,IDRESETVIEW,IDPHOTO,
  80   IDDUMPWIN,IDDODUMP,
  81   IDBONDOPTS,IDTHIN,IDFAT,IDVERYFAT,IDBALLS,
  82   IDNOBOX,IDRECTBOX,IDTRIBOX,IDTOBOX,
  83   IDBOND,IDANGLE,IDDIH,IDRMS,IDRDF,IDENERGIES,IDCORR,
  84   IDHELP,IDABOUT,
  85
  86   /* Last line specifies how many IDs there are */
  87   IDMENUNR
  88   };
  89
  90 extern void run_grompp(t_gmx *gmx);
  91
  92 extern void run_mdrun(t_gmx *gmx);
  93
  94 extern void write_gmx(t_x11 *x11,t_gmx *gmx,int mess);
  95
  96 /*extern void run_sr(t_statrec *sr);
  97
  98 extern t_statrec *init_sr();*/
  99
 100 extern void init_dlgs(t_x11 *x11,t_gmx *gmx);
 101
 102 extern void show_mb(t_gmx *gmx,int mb);
 103
 104 extern void done_dlgs(t_gmx *gmx);
 105
 106 extern void edit_file(char *fn);
 107
 108 extern t_filter *init_filter(t_atoms *atoms, char *fn, int natom_trx);
 109
 110 extern t_dlg *select_filter(t_x11 *x11,t_gmx *gmx);
 111
 112 #endif