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