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43 #include "gromacs/fileio/trxio.h"
44 #include "gromacs/pbcutil/rmpbc.h"
45 #include "gromacs/topology/topology.h"
46 #include "gromacs/utility/real.h"
54 struct gmx_output_env_t;
56 /* Some window sizes */
98 t_windata wd; /* Mol window structure */
99 bool bShowHydrogen; /* Show Hydrogens? */
100 int bond_type; /* Show one of the above bondtypes */
101 int ePBC; /* PBC type */
102 int boxtype; /* Rectangular, Tric, TruncOct (display)*/
103 int realbox; /* Property of the real box */
108 eObject eO; /* The type of object */
109 eVisible eV; /* Visibility status of the object */
110 unsigned long color; /* The color (only when eV==evSpecial) */
111 int ai, aj; /* The int for i (and j if bond) */
112 real z; /* The Z-coordinate for depht cueing */
117 t_blocka* grps; /* Blocks with atom numbers */
118 char** grpnames; /* The names of the groups */
119 bool* bDisable; /* Group indexes out of natoms in TRX */
120 bool* bShow; /* Show a group ? */
124 * t_manager structure:
126 * This structure manages the display area for the gmx program.
127 * It reads the status file and sends messages when windows need to
134 const char* trajfile;
135 int natom; /* The number of atoms */
136 t_topology top; /* topology */
138 real time; /* The actual time */
139 rvec* x; /* The coordinates */
140 iv2* ix; /* The coordinates after projection */
141 real* zz; /* Z-coords */
142 matrix box; /* The box */
143 int nobj; /* The number of objects */
144 t_object* obj; /* The objects on screen */
145 bool* bHydro; /* true for hydrogen atoms */
146 bool* bLabel; /* Show a label on atom i? */
147 char** szLab; /* Array of pointers to labels */
148 unsigned long* col; /* The colour of the atoms */
149 int* size; /* The size of the atoms */
150 real* vdw; /* The VDWaals radius of the atoms */
151 bool* bVis; /* visibility of atoms */
152 bool bPbc; /* Remove Periodic boundary */
153 bool bAnimate; /* Animation going on? */
154 bool bEof; /* End of file reached? */
155 bool bStop; /* Stopped by user? */
156 bool bSort; /* Sort the coordinates */
157 bool bPlus; /* Draw plus for single atom */
158 int nSkip; /* Skip n steps after each frame */
159 int nWait; /* Wait n ms after each frame */
160 gmx_rmpbc_t gpbc; /* For removing peridiocity */
162 t_windata wd; /* The manager subwindow */
163 t_windata title; /* Title window */
164 t_3dview* view; /* The 3d struct */
165 t_molwin* molw; /* The molecule window */
166 t_butbox* vbox; /* The video box */
167 t_butbox* bbox; /* The button box */
168 t_legendwin* legw; /* The legend window */
170 gmx_output_env_t* oenv; /* output env data */
173 extern t_manager* init_man(t_x11* x11,
183 gmx_output_env_t* oenv);
184 /* Initiate the display manager */
186 extern void move_man(t_x11* x11, t_manager* man, int width, int height);
187 /* Set the right size for this window */
189 extern void step_message(t_x11* x11, t_manager* man);
190 /* Send a message to the manager */
192 extern void set_file(t_x11* x11, t_manager* man, const char* trajectory, const char* status);
193 /* Read a new trajectory and topology */
195 extern void map_man(t_x11* x11, t_manager* man);
198 extern bool toggle_animate(t_x11* x11, t_manager* man);
200 extern bool toggle_pbc(t_manager* man);
202 extern void no_labels(t_x11* x11, t_manager* man);
203 /* Turn off all labels */
205 extern void done_man(t_x11* x11, t_manager* man);
206 /* Clean up man struct */
208 extern void draw_mol(t_x11* x11, t_manager* man);
210 extern void do_filter(t_x11* x11, t_manager* man, t_filter* filter);