src/programs/view/manager.h

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  37
  38 #ifndef _manager_h
  39 #define _manager_h
  40
  41 #include <stdio.h>
  42
  43 #include "gromacs/fileio/trxio.h"
  44 #include "gromacs/pbcutil/rmpbc.h"
  45 #include "gromacs/topology/topology.h"
  46 #include "gromacs/utility/real.h"
  47
  48 #include "3dview.h"
  49 #include "buttons.h"
  50 #include "nleg.h"
  51 #include "x11.h"
  52 #include "xutil.h"
  53
  54 struct gmx_output_env_t;
  55
  56 /* Some window sizes */
  57 #define EWIDTH      200
  58 #define EHEIGHT       0
  59 #define LDHEIGHT      0
  60 #define LEGHEIGHT    60
  61
  62 enum eObject {
  63     eOSingle, eOBond, eOHBond, eONR
  64 };
  65
  66 enum eVisible {
  67     eVNormal, eVSpecial, eVHidden, evNR
  68 };
  69
  70 enum eBwidth {
  71     eBThin, eBFat, eBVeryFat, eBSpheres, eBNR
  72 };
  73
  74 enum esBox {
  75     esbNone, esbRect, esbTri, esbTrunc, esbNR
  76 };
  77
  78 typedef struct {
  79     t_windata     wd;            /* Mol window structure                        */
  80     bool          bShowHydrogen; /* Show Hydrogens?                     */
  81     int           bond_type;     /* Show one of the above bondtypes      */
  82     int           ePBC;          /* PBC type                             */
  83     int           boxtype;       /* Rectangular, Tric, TruncOct (display)*/
  84     int           realbox;       /* Property of the real box             */
  85 } t_molwin;
  86
  87 typedef struct {
  88     eObject           eO;     /* The type of object                     */
  89     eVisible          eV;     /* Visibility status of the object        */
  90     unsigned long     color;  /* The color (only when eV==evSpecial)    */
  91     int               ai, aj; /* The int for i (and j if bond)  */
  92     real              z;      /* The Z-coordinate for depht cueing      */
  93 } t_object;
  94
  95 typedef struct {
  96     t_blocka    *grps;     /* Blocks with atom numbers          */
  97     char       **grpnames; /* The names of the groups           */
  98     bool        *bDisable; /* Group indexes out of natoms in TRX   */
  99     bool        *bShow;    /* Show a group ?                    */
 100 } t_filter;
 101
 102 /*
 103  * t_manager structure:
 104  *
 105  * This structure manages the display area for the gmx program.
 106  * It reads the status file and sends messages when windows need to
 107  * be updated.
 108  *
 109  */
 110 typedef struct {
 111     t_trxstatus      *status;
 112     const char       *trajfile;
 113     int               natom;    /* The number of atoms                  */
 114     t_topology        top;      /* topology                             */
 115     rvec              box_size;
 116     real              time;     /* The actual time                      */
 117     rvec             *x;        /* The coordinates                      */
 118     iv2              *ix;       /* The coordinates after projection     */
 119     real             *zz;       /* Z-coords                             */
 120     matrix            box;      /* The box                              */
 121     int               nobj;     /* The number of objects                */
 122     t_object         *obj;      /* The objects on screen                */
 123     bool             *bHydro;   /* true for hydrogen atoms              */
 124     bool             *bLabel;   /* Show a label on atom i?              */
 125     char            **szLab;    /* Array of pointers to labels          */
 126     unsigned long    *col;      /* The colour of the atoms              */
 127     int              *size;     /* The size of the atoms                */
 128     real             *vdw;      /* The VDWaals radius of the atoms      */
 129     bool             *bVis;     /* visibility of atoms                  */
 130     bool              bPbc;     /* Remove Periodic boundary             */
 131     bool              bAnimate; /* Animation going on?                  */
 132     bool              bEof;     /* End of file reached?                 */
 133     bool              bStop;    /* Stopped by user?                     */
 134     bool              bSort;    /* Sort the coordinates                 */
 135     bool              bPlus;    /* Draw plus for single atom            */
 136     int               nSkip;    /* Skip n steps after each frame        */
 137     int               nWait;    /* Wait n ms after each frame           */
 138     gmx_rmpbc_t       gpbc;     /* For removing peridiocity             */
 139
 140     t_windata         wd;       /* The manager subwindow                */
 141     t_windata         title;    /* Title window                         */
 142     t_3dview         *view;     /* The 3d struct                        */
 143     t_molwin         *molw;     /* The molecule window                  */
 144     t_butbox         *vbox;     /* The video box                        */
 145     t_butbox         *bbox;     /* The button box                       */
 146     t_legendwin      *legw;     /* The legend window                    */
 147
 148     gmx_output_env_t *oenv;     /* output env data */
 149 } t_manager;
 150
 151 extern t_manager *init_man(t_x11 *x11, Window Parent,
 152                            int x, int y, int width, int height,
 153                            unsigned long fg, unsigned long bg,
 154                            int ePBC, matrix box, gmx_output_env_t *oenv);
 155 /* Initiate the display manager */
 156
 157 extern void move_man(t_x11 *x11, t_manager *man, int width, int height);
 158 /* Set the right size for this window */
 159
 160 extern void step_message(t_x11 *x11, t_manager *man);
 161 /* Send a message to the manager */
 162
 163 extern void set_file(t_x11 *x11, t_manager *man, const char *trajectory,
 164                      const char *status);
 165 /* Read a new trajectory and topology */
 166
 167 extern void map_man(t_x11 *x11, t_manager *man);
 168
 169
 170
 171 extern bool toggle_animate (t_x11 *x11, t_manager *man);
 172
 173 extern bool toggle_pbc (t_manager *man);
 174
 175 extern void no_labels(t_x11 *x11, t_manager *man);
 176 /* Turn off all labels */
 177
 178 extern void done_man(t_x11 *x11, t_manager *man);
 179 /* Clean up man struct */
 180
 181 extern void draw_mol(t_x11 *x11, t_manager *man);
 182
 183 extern void do_filter(t_x11 *x11, t_manager *man, t_filter *filter);
 184
 185 #endif