src/ngmx/dialogs.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
   8  *
   9  *                        VERSION 3.2.0
  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.
  14
  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.
  19  *
  20  * If you want to redistribute modifications, please consider that
  21  * scientific software is very special. Version control is crucial -
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  23  * inclusion in the official distribution, but derived work must not
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  25  * files - if they are missing, get the official version at www.gromacs.org.
  26  *
  27  * To help us fund GROMACS development, we humbly ask that you cite
  28  * the papers on the package - you can find them in the top README file.
  29  *
  30  * For more info, check our website at http://www.gromacs.org
  31  *
  32  * And Hey:
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  34  */
  35
  36 #ifndef _dialogs_h
  37 #define _dialogs_h
  38
  39 #include "xdlg.h"
  40 #include "pulldown.h"
  41 #include "manager.h"
  42 #include "logo.h"
  43
  44 typedef struct {
  45   bool  bMapped;
  46   t_dlg *dlg;
  47 } t_dialogs;
  48
  49 typedef enum { edExport, edBonds, edFilter, edNR } eDialogs;
  50
  51 typedef enum {
  52   emQuit, emHelp, emAbout, emNotImplemented, emNR
  53 } eMBoxes;
  54
  55 typedef enum {
  56   eExpGromos, eExpPDB, eExpNR
  57 } eExport;
  58
  59 typedef struct {
  60   char         confout[256];    /* Export file                  */
  61   int          ExpMode;         /* Export mode                  */
  62   t_dlg        **dlgs;          /* Temporary storage for dlgs   */
  63   int          which_mb;        /* Which mb is visible          */
  64   t_dlg        **mboxes;        /* id for message boxes         */
  65   t_filter     *filter;         /* Filter for visibility etc.   */
  66   t_windata    *wd;             /* The main window              */
  67   t_pulldown   *pd;             /* The pull-down menu           */
  68   t_manager    *man;            /* The manager                  */
  69   /*t_statrec    *sr;*/         /* The statistics dlg           */
  70   t_logo       *logo;           /* The gromacs logo             */
  71 } t_gmx;
  72
  73 enum {
  74   IDNEW,IDOPEN,IDOPENED,IDCLOSE,IDIMPORT,IDEXPORT,IDDOEXPORT,IDQUIT,IDTERM,
  75   IDEDITTOP,IDEDITCOORDS,IDEDITPARAMS,
  76   IDGROMPP,IDRUNMD,IDDOGROMPP,IDGSTAT,IDDOGSTAT,IDDORUNMD,
  77   IDFILTER,IDDOFILTER,
  78   IDANIMATE,IDSHOWBOX,IDRMPBC,IDHYDROGEN,IDLABELSOFF,IDRESETVIEW,IDPHOTO,
  79   IDDUMPWIN,IDDODUMP,
  80   IDBONDOPTS,IDTHIN,IDFAT,IDVERYFAT,IDBALLS,
  81   IDNOBOX,IDRECTBOX,IDTRIBOX,IDTOBOX,
  82   IDBOND,IDANGLE,IDDIH,IDRMS,IDRDF,IDENERGIES,IDCORR,
  83   IDHELP,IDABOUT,
  84
  85   /* Last line specifies how many IDs there are */
  86   IDMENUNR
  87   };
  88
  89 extern void run_grompp(t_gmx *gmx);
  90
  91 extern void run_mdrun(t_gmx *gmx);
  92
  93 extern void write_gmx(t_x11 *x11,t_gmx *gmx,int mess);
  94
  95 /*extern void run_sr(t_statrec *sr);
  96
  97 extern t_statrec *init_sr();*/
  98
  99 extern void init_dlgs(t_x11 *x11,t_gmx *gmx);
 100
 101 extern void show_mb(t_gmx *gmx,int mb);
 102
 103 extern void done_dlgs(t_gmx *gmx);
 104
 105 extern void edit_file(const char *fn);
 106
 107 extern t_filter *init_filter(t_atoms *atoms, const char *fn, int natom_trx);
 108
 109 extern t_dlg *select_filter(t_x11 *x11,t_gmx *gmx);
 110
 111 #endif