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52 typedef enum { edExport, edBonds, edFilter, edNR } eDialogs;
55 emQuit, emHelp, emAbout, emNotImplemented, emNR
59 eExpGromos, eExpPDB, eExpNR
63 char confout[256]; /* Export file */
64 int ExpMode; /* Export mode */
65 t_dlg **dlgs; /* Temporary storage for dlgs */
66 int which_mb; /* Which mb is visible */
67 t_dlg **mboxes; /* id for message boxes */
68 t_filter *filter; /* Filter for visibility etc. */
69 t_windata *wd; /* The main window */
70 t_pulldown *pd; /* The pull-down menu */
71 t_manager *man; /* The manager */
72 /*t_statrec *sr;*/ /* The statistics dlg */
73 t_logo *logo; /* The gromacs logo */
77 IDNEW,IDOPEN,IDOPENED,IDCLOSE,IDIMPORT,IDEXPORT,IDDOEXPORT,IDQUIT,IDTERM,
78 IDEDITTOP,IDEDITCOORDS,IDEDITPARAMS,
79 IDGROMPP,IDRUNMD,IDDOGROMPP,IDGSTAT,IDDOGSTAT,IDDORUNMD,
81 IDANIMATE,IDSHOWBOX,IDRMPBC,IDHYDROGEN,IDLABELSOFF,IDRESETVIEW,IDPHOTO,
83 IDBONDOPTS,IDTHIN,IDFAT,IDVERYFAT,IDBALLS,
84 IDNOBOX,IDRECTBOX,IDTRIBOX,IDTOBOX,
85 IDBOND,IDANGLE,IDDIH,IDRMS,IDRDF,IDENERGIES,IDCORR,
88 /* Last line specifies how many IDs there are */
92 extern void run_grompp(t_gmx *gmx);
94 extern void run_mdrun(t_gmx *gmx);
96 extern void write_gmx(t_x11 *x11,t_gmx *gmx,int mess);
98 /*extern void run_sr(t_statrec *sr);
100 extern t_statrec *init_sr();*/
102 extern void init_dlgs(t_x11 *x11,t_gmx *gmx);
104 extern void show_mb(t_gmx *gmx,int mb);
106 extern void done_dlgs(t_gmx *gmx);
108 extern void edit_file(const char *fn);
110 extern t_filter *init_filter(t_atoms *atoms, const char *fn, int natom_trx);
112 extern t_dlg *select_filter(t_x11 *x11,t_gmx *gmx);