src/ngmx/manager.h

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