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43 #include "gromacs/legacyheaders/typedefs.h"
44 #include "gromacs/fileio/trxio.h"
45 #include "gromacs/pbcutil/rmpbc.h"
53 /* Some window sizes */
60 eOSingle, eOBond, eOHBond, eONR
64 eVNormal, eVSpecial, eVHidden, evNR
68 eBThin, eBFat, eBVeryFat, eBSpheres, eBNR
72 esbNone, esbRect, esbTri, esbTrunc, esbNR
76 t_windata wd; /* Mol window structure */
77 bool bShowHydrogen; /* Show Hydrogens? */
78 int bond_type; /* Show one of the above bondtypes */
79 int ePBC; /* PBC type */
80 int boxtype; /* Rectangular, Tric, TruncOct (display)*/
81 int realbox; /* Property of the real box */
85 eObject eO; /* The type of object */
86 eVisible eV; /* Visibility status of the object */
87 unsigned long color; /* The color (only when eV==evSpecial) */
88 atom_id ai, aj; /* The atom_id for i (and j if bond) */
89 real z; /* The Z-coordinate for depht cueing */
93 t_blocka *grps; /* Blocks with atom numbers */
94 char **grpnames; /* The names of the groups */
95 bool *bDisable; /* Group indexes out of natoms in TRX */
96 bool *bShow; /* Show a group ? */
100 * t_manager structure:
102 * This structure manages the display area for the gmx program.
103 * It reads the status file and sends messages when windows need to
109 const char *trajfile;
110 int natom; /* The number of atoms */
111 t_topology top; /* topology */
113 real time; /* The actual time */
114 rvec *x; /* The coordinates */
115 iv2 *ix; /* The coordinates after projection */
116 real *zz; /* Z-coords */
117 matrix box; /* The box */
118 int nobj; /* The number of objects */
119 t_object *obj; /* The objects on screen */
120 bool *bHydro; /* true for hydrogen atoms */
121 bool *bLabel; /* Show a label on atom i? */
122 char **szLab; /* Array of pointers to labels */
123 unsigned long *col; /* The colour of the atoms */
124 int *size; /* The size of the atoms */
125 real *vdw; /* The VDWaals radius of the atoms */
126 bool *bVis; /* visibility of atoms */
127 bool bPbc; /* Remove Periodic boundary */
128 bool bAnimate; /* Animation going on? */
129 bool bEof; /* End of file reached? */
130 bool bStop; /* Stopped by user? */
131 bool bSort; /* Sort the coordinates */
132 bool bPlus; /* Draw plus for single atom */
133 int nSkip; /* Skip n steps after each frame */
134 int nWait; /* Wait n ms after each frame */
135 gmx_rmpbc_t gpbc; /* For removing peridiocity */
137 t_windata wd; /* The manager subwindow */
138 t_windata title; /* Title window */
139 t_3dview *view; /* The 3d struct */
140 t_molwin *molw; /* The molecule window */
141 t_butbox *vbox; /* The video box */
142 t_butbox *bbox; /* The button box */
143 t_legendwin *legw; /* The legend window */
145 output_env_t oenv; /* output env data */
148 extern t_manager *init_man(t_x11 *x11, Window Parent,
149 int x, int y, int width, int height,
150 unsigned long fg, unsigned long bg,
151 int ePBC, matrix box, const output_env_t oenv);
152 /* Initiate the display manager */
154 extern void move_man(t_x11 *x11, t_manager *man, int width, int height);
155 /* Set the right size for this window */
157 extern void step_message(t_x11 *x11, t_manager *man);
158 /* Send a message to the manager */
160 extern void set_file(t_x11 *x11, t_manager *man, const char *trajectory,
162 /* Read a new trajectory and topology */
164 extern void map_man(t_x11 *x11, t_manager *man);
166 extern void move_man(t_x11 *x11, t_manager *man, int width, int height);
168 extern bool toggle_animate (t_x11 *x11, t_manager *man);
170 extern bool toggle_pbc (t_manager *man);
172 extern void no_labels(t_x11 *x11, t_manager *man);
173 /* Turn off all labels */
175 extern void done_man(t_x11 *x11, t_manager *man);
176 /* Clean up man struct */
178 extern void draw_mol(t_x11 *x11, t_manager *man);
180 extern void do_filter(t_x11 *x11, t_manager *man, t_filter *filter);