#include <VMDApp.h>
Public Methods | |
| VMDApp (int argc, char **argv) | |
| set list of command line arguments. More... | |
| int | VMDinit (int, char **, const char *, int *dispLoc, int *dispSize) |
| initialize the global variables and objects for the general library. Must be passed command-line arguments to program. Creates graphics context and all associated objects, and then starts the UI, then adds any commands that should be done at start. When done, flushes command queue and then returns, when the program is ready to start main event loop. Return TRUE on successful initialization, FALSE if anything failed. More... | |
| ~VMDApp () | |
| void | VMDexit (const char *exitmsg, int exitcode, int pauseseconds) |
| Print the given error message and pause for the given number of seconds before setting a flag that willl make VMDupdate return FALSE. More... | |
| int | background_processing () |
| Background processing flag indicating whether the main event loop should throttle the CPU consumption back when there aren't any other display updates, event handling, or other activities to perform This flag is used by Molecule to inform VMD when background trajectory loading is going on, for example. More... | |
| void | background_processing_clear () |
| void | background_processing_set () |
| void | deactivate_uitext_stdin () |
| Turn off event checking for the text interface; if inactive it will still process text from VMD, like hotkey callbacks, but Tk menus will not work. This is experimental code just for the purpose of making it possible to control VMD from a thread in another program. More... | |
| int | activate_menus () |
| Activate Fltk menus; this should be called only once and only after VMDinit. Return success. More... | |
| int | num_menus () |
| Number of menus we know about. More... | |
| const char * | menu_name (int) |
| Name of nth menu; 0 <= n < num_menus(). More... | |
| int | add_menu (VMDMenu *) |
| int | remove_menu (const char *) |
| remove menu. Return success. More... | |
| void | menu_add_extension (const char *shortname, const char *menu_path) |
| Announce that the menu of the given name is a menu extension. This lets widgets add the menu to their own pulldown menus if they wish. More... | |
| void | menu_remove_extension (const char *shortname) |
| int | menu_status (const char *name) |
| Return 1 or 0 if the menu is on or off. Return 0 if the menu does not exist. More... | |
| int | menu_location (const char *name, int &x, int &y) |
| Get the location of the specified menu. More... | |
| int | menu_show (const char *name, int on) |
| Turn the specified menu on or off. More... | |
| int | menu_move (const char *name, int x, int y) |
| Move the specified menu to the given location on the screen. More... | |
| int | menu_select_mol (const char *name, int molno) |
| Tells the specified menu to select the "molno"-th molecule internally. More... | |
| int | filerender_num () |
| Number of file render methods. More... | |
| const char * | filerender_name (int n) |
| Name of nth file render method. More... | |
| int | filerender_valid (const char *method) |
| Return true if renderer exists. More... | |
| int | filerender_has_antialiasing (const char *method) |
| Return whether given renderer supports antialiasing. More... | |
| int | filerender_aalevel (const char *method, int aalevel) |
| Set the antialiasing level to the given value. Return the new value. More... | |
| int | filerender_has_imagesize (const char *method) |
| Return whether the given renderer supports arbitrary image size. More... | |
| int | filerender_imagesize (const char *method, int *imgwidth, int *imgheight) |
| Set/get the image size. If *width or *height are zero, then the existing value will be used instead. If aspect ratio is set, then the aspect ratio will be used to determine the other member of the pair. Return success. More... | |
| int | filerender_aspectratio (const char *method, float *aspect) |
| Set/get the aspect ratio for the image. An aspect ratio of zero means the image is free to take on any size. A positive value means the _height_ of the image will be scaled to maintain the given aspect ratio. Negative values fail. Return success, and place the new value of the aspect ratio in the passed-in pointer. More... | |
| int | filerender_numformats (const char *method) |
| Return the number of file formats the file renderer can produce. Returns zero if the renderer method is invalid. More... | |
| const char * | filerender_get_format (const char *method, int i) |
| Return the ith format. NULL if invalid. More... | |
| const char * | filerender_cur_format (const char *method) |
| Return name of currently selected format. More... | |
| int | filerender_set_format (const char *method, const char *format) |
| Set the output format for the renderer. Return success. More... | |
| int | filerender_render (const char *method, const char *filename, const char *extcmd) |
| do the rendering; return success. More... | |
| const char * | filerender_option (const char *method, const char *option) |
| set the command string to execute after producing the scene file Return the new value, or NULL if the method is invalid. Specify option as NULL to fetch the current value. More... | |
| const char * | filerender_default_option (const char *method) |
| get the default render option for the given method. More... | |
| const char * | filerender_default_filename (const char *method) |
| get the dafault filename for this render method. More... | |
| int | scene_rotate_by (float angle, char axis, float incr=0) |
| rotate the scene by or to the given angle, measured in degrees, about the given axis, either 'x', 'y', or 'z'. For rotate_by, If incr is zero, the rotation will be done in one redraw; otherwise the rotation will be performed in steps of incr. More... | |
| int | scene_rotate_to (float angle, char axis) |
| int | scene_rotate_by (const float *) |
| Rotate the scene by the specified matrix. The translation part will be ignored. More... | |
| int | scene_rotate_to (const float *) |
| int | scene_translate_by (float x, float y, float z) |
| Translate everything that isn't fixed by/to the given amount. More... | |
| int | scene_translate_to (float x, float y, float z) |
| int | scene_scale_by (float s) |
| Scale by/to the given positive scale factor. More... | |
| int | scene_scale_to (float s) |
| void | scene_resetview_newmoldata () |
| recenter the scene on the top molecule or on last settings if no-disrupt mode is enabled, unless there's only one molecule. More... | |
| void | scene_resetview () |
| recenter the scene on the top molecule. If there are no molecules, just restores rotation to default value. More... | |
| int | scene_rock (char axis, float step, int nsteps=0) |
| Rock the scene by the given amount per redraw about the given axis. If nsteps is positive, rock for the specified number of steps, then reverse direction. More... | |
| int | scene_rockoff () |
| Stop rocking the scene. More... | |
| int | scene_stoprotation () |
| Stop rocking AND persistent rotations induced by input devices (like the Mouse). More... | |
| int | animation_num_dirs () |
| Methods for affecting the animation. Only _active_ molecules are affected. I consider this a mistake: it would be better to be able to specify the animation settings for a particular molecule by specify a molecule ID. However, this would make it impossible to log Tcl commands using our current syntax because the Tcl commands operate on all active molecules. If we ever create new Tcl commands and/or deprecate the old ones, we can (and should) change thse API's. Note that there are no get-methods here because you would need to query molecules individually. The Tcl commands just return the value for the top molecule; they can continue to do so, but the API should be per molecule. number of animation direction choices, and their names. More... | |
| const char * | animation_dir_name (int) |
| int | animation_set_dir (int) |
| set the animation direction for all active molecules. More... | |
| int | animation_num_styles () |
| number of animation styles, and their names. More... | |
| const char * | animation_style_name (int) |
| int | animation_set_style (int) |
| set the animation style for all active molecules. More... | |
| int | animation_set_frame (int frame) |
| set the animation frame for all active molecules. If the specified frame is out of range for a particular molecule, then its frame will not change. If frame is -1, go to the first frame. If frame is -2, go to the last frame. More... | |
| int | animation_set_stride (int) |
| set the stride for animation. Must be >= 1. More... | |
| int | animation_set_speed (float) |
| set the animation speed. Must be a float between 0 and 1. 1 means animate as fast as possible; 0 means pause at least 0.5 seconds between frames. More... | |
| vmdplugin_t * | get_plugin (const char *type, const char *name) |
| get a plugin of the specified type and name. If none was found, return NULL. The returned plugin should not be deleted. If multiple plugins are found, the one with the highest version number is returned. More... | |
| int | list_plugins (PluginList &, const char *type=NULL) |
| Get alll plugins of the specfied type. If no type is specified or is NULL, all loaded plugins will be returned. Returns the number of plugins added to the list. More... | |
| int | plugin_dlopen (const char *filename) |
| Try to dlopen the specified shared library and access its plugin API. Return the number of plugins found in the given library, or -1 on error. More... | |
| void | plugin_update () |
| Tell VMD to update its lists of plugins based on all the shared libraries it's loaded. Methods listed below will not be updated after a call to plugin_dlopen until this method is called. More... | |
| void | display_update_on (int) |
| turn display updates on (1) or off (0). More... | |
| int | display_update_status () |
| return 1 or 0 if display updates are on or off, respectively. More... | |
| void | display_update () |
| force a screen redraw right now, without checking for UI events. More... | |
| void | display_update_ui () |
| force a screen redraw right now, and also check for UI events. More... | |
| void | display_set_screen_height (float) |
| get/set the height of the screen. Ignored unless positive. More... | |
| float | display_get_screen_height () |
| void | display_set_screen_distance (float) |
| get/set the distance to the screen. More... | |
| float | display_get_screen_distance () |
| void | display_set_position (int x, int y) |
| get/set the position of the graphics window. More... | |
| void | display_set_size (int w, int h) |
| get/set the size of the graphics window. More... | |
| void | display_get_size (int *w, int *h) |
| int | display_set_stereo (const char *mode) |
| change the stereo mode. More... | |
| int | display_set_cachemode (const char *mode) |
| change the caching mode. More... | |
| int | display_set_rendermode (const char *mode) |
| change the rendering mode. More... | |
| int | display_set_eyesep (float sep) |
| change eye separation. More... | |
| int | display_set_focallen (float flen) |
| change focal length. More... | |
| int | display_set_projection (const char *proj) |
| set the projection (Perspective or Orthographic, case-insensitive). More... | |
| int | display_projection_is_perspective (void) |
| query whether the projection is a perspective projection type. More... | |
| int | display_set_aa (int onoff) |
| int | display_set_depthcue (int onoff) |
| int | display_set_culling (int onoff) |
| int | display_set_fps (int onoff) |
| int | display_set_background_mode (int mode) |
| int | display_set_nearclip (float amt, int isdelta) |
| int | display_set_farclip (float amt, int isdelta) |
| int | stage_set_location (const char *) |
| int | stage_set_numpanels (int) |
| int | axes_set_location (const char *) |
| int | light_on (int lightnum, int onoff) |
| int | light_highlight (int lightnum, int onoff) |
| int | light_rotate (int lightnum, float amt, char axis) |
| int | light_move (int lightnum, const float *newpos) |
| int | depthcue_set_mode (const char *) |
| int | depthcue_set_start (float) |
| int | depthcue_set_end (float) |
| int | depthcue_set_density (float) |
| void | display_titlescreen () |
| turn on the title screen; burns CPU but will be turned off when a molecule is loaded. More... | |
| int | num_color_categories () |
| Number of color categories. More... | |
| const char * | color_category (int) |
| Name of the nth color category, or NULL if invalid index. More... | |
| int | color_add_item (const char *cat, const char *item, const char *defcolor) |
| add a new color item, consisting of a name and a default color, to the given color category. If the color category does not already exist, it is created. Return success. More... | |
| int | num_color_category_items (const char *category) |
| Number of color items in the given category. More... | |
| const char * | color_category_item (const char *category, int) |
| Item for the given category and index. More... | |
| int | num_colors () |
| Number of available colors. More... | |
| int | num_regular_colors () |
| Number of _regular_ colors, i.e., the ones that have actual names. More... | |
| const char * | color_name (int n) |
| Name of nth color, where 0 <= n < num_colors(). If the index is invalid, return NULL. More... | |
| int | color_index (const char *) |
| Index of given color. If the color is invalid, return -1, other return a number in [0, num_colors()). The color must be one of the colors returned by color_name(). Hence, color_name(color_index(<string>)) returns its input if <string> is a valid color, or NULL if it isn't. More... | |
| int | color_value (const char *colorname, float *r, float *g, float *b) |
| Get RGB value of given color. Return success. More... | |
| int | color_default_value (const char *colorname, float *r, float *g, float *b) |
| Get default RGB value of given color. The colorname must be one of the regular colors, i.e. have an index in [0,num_regular_colors). Return success. More... | |
| const char * | color_mapping (const char *category, const char *item) |
| Color mapped to given color category and item, or NULL if invalid. More... | |
| const char * | color_get_restype (const char *resname) |
| get the restype for the given resname. if the resname, is unknown, returns "Unassigned". More... | |
| int | color_set_restype (const char *resname, const char *newtype) |
| set the residue type for the given residue name. This will determine how the residue is colored when the coloring method is ResType. The type must be one of the color items in the Restype color category. return success. More... | |
| int | colorscale_info (float *midpoint, float *min, float *max) |
| color scale info. More... | |
| int | num_colorscale_methods () |
| info about color scale methods. More... | |
| int | colorscale_method_current () |
| const char * | colorscale_method_name (int) |
| int | colorscale_method_index (const char *) |
| index for given method. Return -1 if invalid, otherwise nonnegative. More... | |
| int | get_colorscale_colors (int whichScale, float min[3], float mid[3], float max[3]) |
| Store the color scale colors in the given arrays. More... | |
| int | set_colorscale_colors (int whichScale, const float min[3], const float mid[3], const float max[3]) |
| Set the color scale colors from the given arrays. More... | |
| int | color_changename (const char *category, const char *colorname, const char *color) |
| Change the color for a particular color category and name. color must be one of names returned by color_name(). More... | |
| int | color_get_from_name (const char *category, const char *colorname, const char **color) |
| Returns the color string for a particular color category and name. More... | |
| int | color_changevalue (const char *color, float r, float g, float b) |
| Change the RGB value for the specified color. More... | |
| int | colorscale_setvalues (float midpoint, float min, float max) |
| Change the settings for the color scale. More... | |
| int | colorscale_setmethod (int method) |
| Change the color scale method. More... | |
| int | logfile_read (const char *path) |
| Process the commands in the given file. More... | |
| int | save_state () |
| save VMD state to a Tcl script. A filename will be requested from the user. More... | |
| int | textinterp_change (const char *interpname) |
| change to a new text interpreter mode. Currently "tcl" and "python" are supported. More... | |
| int | num_molecules () |
| Number of molecules currently loaded. More... | |
| int | molecule_new (const char *name) |
| Create a new "empty" molecule, basically a blank slate for import low-level graphics or other data. Return the molid of the new molecule. More... | |
| const char * | guess_filetype (const char *filename) |
| Guess a molecule file type from the given filename. Return the filetype, or NULL if unsuccesful. More... | |
| int | molecule_load (int molid, const char *filename, const char *filetype, const FileSpec *spec) |
| Load data from the given file of type filetype. If molid is -1, a new molecule will be created if the file is successfully read; otherwise molid must be a valid molecule id. As much information will be loaded from the file as possible, and within the limits prescribed by FileSpec. Returns the molid of the molecule into which the data was read. If the file type is unknown, use guess_filetype to obtain a filetype; don't pass NULL to filetype. More... | |
| int | molecule_add_volumetric (int molid, const char *dataname, const float origin[3], const float xaxis[3], const float yaxis[3], const float zaxis[3], int xsize, int ysize, int zsize, float *datablock) |
| Add volumetric data to a given molecule. The data block will be deleted by VMD. Return success. More... | |
| int | molecule_savetrajectory (int molid, const char *filename, const char *filetype, const FileSpec *spec) |
| Write trajectory frames to a file. Return number of frames written before returning, as in the addfile method. Filetype should be one of the file types returned by savecoorfile_plugin_name(). selection must be NULL, or point to an array of flags, one for each atom in the molecule, indicating which atoms' coordinates are to be written. More... | |
| int | molecule_deleteframes (int molid, int first, int last, int stride) |
| Delete the specified range of timesteps from the given molecule, keeping every "stride" molecule (unless stride = 0). More... | |
| int | molecule_id (int) |
| id of the ith molecule. This id is used to specify a molecule for all other methods. Return -1 if the ith molecule is not present; otherwise the id is a nonnegative integer unique to each molecule. More... | |
| int | molecule_valid_id (int molid) |
| Return true or false if the given molid is valid. More... | |
| int | molecule_numatoms (int molid) |
| number of atoms in molecule. Return -1 on invalid molid, otherwise 0 or more. More... | |
| int | molecule_numframes (int molid) |
| number of frames in molecule. Return -1 on invalid molid, otherwise 0 or more. More... | |
| int | molecule_frame (int molid) |
| Current frame in molecule. Return -1 on invalid molid, otherwise [0, numframes()). More... | |
| int | molecule_dupframe (int molid, int frame) |
| Duplicate the given frame. The new fram will be appended at the end. Passing -1 for frame duplicates the current frame. Return success. More... | |
| const char * | molecule_name (int molid) |
| name of molecule. More... | |
| int | molecule_rename (int molid, const char *newname) |
| int | molecule_cancel_io (int molid) |
| cancel any in-progress file I/O associated with a given molecule. More... | |
| int | molecule_delete (int molid) |
| delete the molecule with the given id. More... | |
| int | molecule_delete_all (void) |
| delete all molecules. More... | |
| int | molecule_activate (int molid, int onoff) |
| make the given molecule 'active' or 'inactive'; active molecules respond to animate requests while inactive molecules do not. More... | |
| int | molecule_is_active (int molid) |
| int | molecule_fix (int molid, int onoff) |
| make the given molecule fixed or unfixed. Fixed molecules do not respond to scene transformation operations. More... | |
| int | molecule_is_fixed (int molid) |
| int | molecule_display (int molid, int onoff) |
| Turn the given molecule on or off. Turning a molecule off causes all its reps to not be rendered. More... | |
| int | molecule_is_displayed (int molid) |
| int | molecule_make_top (int molid) |
| Make the given molecule top. There is always exactly one top molecule, if any are loaded. More... | |
| int | molecule_top () |
| return the molid of the top molecule. More... | |
| int | num_molreps (int molid) |
| number of representations for the given molecule. More... | |
| const char * | molrep_get_style (int molid, int repid) |
| Get/set the current representation style. More... | |
| int | molrep_set_style (int molid, int repid, const char *style) |
| const char * | molrep_get_color (int molid, int repid) |
| Get/set the current representation color. More... | |
| int | molrep_set_color (int molid, int repid, const char *color) |
| const char * | molrep_get_selection (int molid, int repid) |
| Get/set the current representation selection. More... | |
| int | molrep_set_selection (int molid, int repid, const char *selection) |
| int | molrep_numselected (int molid, int repid) |
| Get the number of atoms in the rep's selection. If invalid molid or repid, return -1, otherwise 0 or more. More... | |
| const char * | molrep_get_material (int molid, int repid) |
| Get/set the current representation material. More... | |
| int | molrep_set_material (int molid, int repid, const char *material) |
| int | num_clipplanes () |
| Number of clipping planes supported per rep. clipid in the next few methods should be in the range [0,max). More... | |
| int | molrep_get_clipplane (int molid, int repid, int clipid, float *center, float *normal, float *color, int *mode) |
| Get clipping plane info for reps. center and normal should point to space for three floats. More... | |
| int | molrep_set_clipcenter (int molid, int repid, int clipid, const float *center) |
| set clip plane properties. More... | |
| int | molrep_set_clipnormal (int molid, int repid, int clipid, const float *normal) |
| int | molrep_set_clipcolor (int molid, int repid, int clipid, const float *color) |
| int | molrep_set_clipstatus (int molid, int repid, int clipid, int onoff) |
| int | molrep_set_smoothing (int molid, int repid, int n) |
| Set smoothing for reps. Coordinates used for calculating graphics will be smoothed with a boxcar average 2*n+1 in size centered on the current frame. More... | |
| int | molrep_get_smoothing (int molid, int repid) |
| Get smoothing for given rep. Returns -1 for invalid rep, otherwise 0 or higher. More... | |
| const char * | molrep_get_name (int molid, int repid) |
| Get the name of the given rep. Return NULL if the id is invalid. More... | |
| int | molrep_get_by_name (int molid, const char *) |
| Get the repid of the rep with the given name. Return -1 if the name was not found. More... | |
| int | molrep_set_pbc (int molid, int repid, int pbc) |
| Set periodic boundary condition display for this rep. More... | |
| int | molrep_get_pbc (int molid, int repid) |
| Get current pbc for this rep; returns -1 if invalid. More... | |
| int | molrep_set_pbc_images (int molid, int repid, int n) |
| Set the number of images to display; must be 1 or higher. Return success. More... | |
| int | molrep_get_pbc_images (int molid, int repid) |
| Get number of images; returns -1 on error. More... | |
| int | molrep_show (int molid, int repid, int onff) |
| Show/hide individual rep; this is done in the graphics menu by double- clicking on the rep. More... | |
| int | molrep_is_shown (int molid, int repid) |
| Return 1 if shown, 0 if hidden or does not exist. More... | |
| const char * | molecule_get_style () |
| int | molecule_set_style (const char *style) |
| const char * | molecule_get_color () |
| int | molecule_set_color (const char *color) |
| const char * | molecule_get_selection () |
| int | molecule_set_selection (const char *selection) |
| const char * | molecule_get_material () |
| int | molecule_set_material (const char *material) |
| int | molecule_addrep (int molid) |
| Add a rep to the given molecule, using parameters specified in the molecule_set methods. molid must be a valid molecule id. More... | |
| int | molecule_modrep (int molid, int repid) |
| Change the specified rep, using the same settings as for addrep. More... | |
| int | molrep_delete (int molid, int repid) |
| Delete the specified rep. More... | |
| int | molrep_set_drawframes (int molid, int repid, const char *framesel) |
| Set drawing of selected frames for a given rep. Syntax is "now" or a whitespace-separated list of terms of the form n, beg:end, or beg:stride:end. More... | |
| const char * | molrep_get_drawframes (int molid, int repid) |
| int | molecule_reanalyze (int molid) |
| Re-analyze the molecule after atom names, bonds, and other other data have been changed. This can be used to fix unrecognized atom names in non-standard nucleic acid residues, and fix other issues on-the-fly without having to hand-edit the files. More... | |
| int | molecule_bondsrecalc (int molid) |
| Force recalculation of bonds for the given molecule based on the current set of coordinates. More... | |
| int | molecule_ssrecalc (int molid) |
| Force the recalculation of the secondary structure for the given molecule based on the current set of coordinates. Return true if the secondary structure was successfully recalculated, otherwise false. More... | |
| int | imd_connect (int molid, const char *host, int port) |
| Establish an IMD connection to the given host over the given port, using the given molecule id. Return success. More... | |
| int | imd_connected (int molid) |
| Return true if an IMD simulation is established with the given molid. More... | |
| int | imd_sendforces (int, const int *, const float *) |
| Send forces, assuming an IMD connection is present. Return success. Format: num, indices, forces (xyzxyzxyz). More... | |
| int | imd_disconnect (int molid) |
| Disconnect IMD. Return success. More... | |
| int | tool_create (const char *type, int argc, const char **argv) |
| int | tool_delete (int toolnum) |
| int | tool_change_type (int toolnum, const char *type) |
| int | tool_set_position_scale (int toolnum, float newval) |
| int | tool_set_force_scale (int toolnum, float newval) |
| int | tool_set_spring_scale (int toolnum, float newval) |
| int | label_add (const char *category, int num_ids, const int *molids, const int *atomids, const int *cells, float k, int toggle) |
| add a label of the given category using the given molecule id's and atom id's. Return the index of the label object, or -1 on error. If toggle is true, the on/off status of the label will be toggled if the label already exists; if the label does not already exist, the newly created label will be on regardless of the value of toggle. More... | |
| int | label_show (const char *category, int n, int onoff) |
| turn on/off the nth label of the given category. Return success. More... | |
| int | label_delete (const char *category, int n) |
| delete the nth label of the given category. If n is -1, delete all labels from that category. Return success. More... | |
| float | label_get_textsize () const |
| get/size size of text labels. This affects all labels. More... | |
| int | label_set_textsize (float) |
| int | label_set_textoffset (const char *nm, int n, float x, float y) |
| int | label_set_textformat (const char *nm, int n, const char *format) |
| int | next_molid () |
| Get current molid and increment counter by 1. More... | |
| const char * | material_add (const char *name, const char *copyfrom) |
| add material with given name, copying settings from given material. If name is NULL a default unique name will be chosen; if copyfrom is NULL the 0th material will be copied. The name of the new material is returned, or NULL on error. More... | |
| int | material_delete (const char *name) |
| delete material with given name. Return success. More... | |
| int | material_change (const char *name, int property, float val) |
| change the given material property. property is from MaterialProperty defined in MaterialList. Return success. More... | |
| int | material_rename (const char *oldname, const char *newname) |
| rename the given material. The new name must contain only alphanumeric characters (no spaces). Return success. More... | |
| int | material_restore_default (int) |
| restore the default value of the material with the given index. Return success. Fails if the material has no default. More... | |
| int | mouse_set_mode (int mode, int setting) |
| Change the mouse mode. More... | |
| int | spaceball_set_mode (int mode) |
| Change the spaceball mode. More... | |
| int | spaceball_set_sensitivity (float s) |
| Change the spaceball sensitivity. More... | |
| int | spaceball_set_null_region (int nr) |
| Change the spaceball null region. More... | |
| void | spaceball_get_tracker_status (float &tx, float &ty, float &tz, float &rx, float &ry, float &rz, int &buttons) |
| return the current spaceball event data, used by the UIVR SpaceballTracker interface. More... | |
| void | show_stride_message () |
| show Stride message, if necessary. More... | |
| char * | vmd_choose_file (const char *title, const char *extension, const char *extension_label, int do_save) |
| Show a file dialog. Use the first available of: Tk, Fltk, stdin Returns a new'd filename, or NULL. More... | |
| int | VMDupdate (int) |
| redraw the screen and update all things that need updatin'. Return TRUE until exit has been requested by the user. More... | |
| void | set_mouse_callbacks (int on) |
| void | set_mouse_rocking (int on) |
| void | set_eofexit (int onoff) |
| int | get_eofexit () |
| int | molrep_get_selupdate (int molid, int repid) |
| Turn on/off selection auto-update for the specified rep. When on, the representation will recalculate its selection each time there is change in the coordinate frame of the molecule. More... | |
| int | molrep_set_selupdate (int molid, int repid, int onoff) |
| Turn on/off selection auto-update for the specified rep. When on, the representation will recalculate its selection each time there is change in the coordinate frame of the molecule. More... | |
| int | molrep_get_colorupdate (int molid, int repid) |
| Turn on/off automatic color update for the specified rep. More... | |
| int | molrep_set_colorupdate (int molid, int repid, int onoff) |
| Turn on/off automatic color update for the specified rep. More... | |
| int | molrep_get_scaleminmax (int molid, int repid, float *min, float *max) |
| Get/set data range of color scale. More... | |
| int | molrep_set_scaleminmax (int molid, int repid, float min, float max) |
| Get/set data range of color scale. More... | |
| int | molrep_reset_scaleminmax (int molid, int repid) |
| Get/set data range of color scale. More... | |
Static Public Methods | |
| unsigned long | get_repserialnum (void) |
| Get a unique integer serial number used for identifying display lists. More... | |
| unsigned long | get_texserialnum (void) |
| void | set_text (const char *str) |
| text message access methods. More... | |
| void | append_text (const char *str) |
| void | clear_text () |
| const char * | get_text () |
Public Attributes | |
| int | argc_m |
| used if we want to process unknown args elsewhere. More... | |
| const char ** | argv_m |
| needed by Tcl/Python initialization code. More... | |
| UIText * | uiText |
| the text interface JRG: made public for save_state. More... | |
| UIVR * | uivr |
| VR tool interface. More... | |
| IMDMgr * | imdMgr |
| IMD manager class. More... | |
| Animation * | anim |
| generates delay-based frame change events. More... | |
| DisplayDevice * | display |
| display in which the images are rendered. More... | |
| Scene * | scene |
| list of all Displayable objects to draw. More... | |
| CUDAAccel * | cuda |
| CUDA acceleration system handle. More... | |
| PickList * | pickList |
| handles all picking events. More... | |
| PickModeList * | pickModeList |
| list of available picking modes. More... | |
| MaterialList * | materialList |
| list of materials. More... | |
| Stage * | stage |
| stage object used in the scene. More... | |
| Axes * | axes |
| axes object used in the scene. More... | |
| FPS * | fps |
| FPS counter used in the scene. More... | |
| CommandQueue * | commandQueue |
| the command processor. More... | |
| MoleculeList * | moleculeList |
| list of all loaded molecules. More... | |
| GeometryList * | geometryList |
| list of all labels etc. More... | |
| SymbolTable * | atomSelParser |
| symbol table and atom selection parser. More... | |
| VMDCollab * | vmdcollab |
| handles collaborative VMD interaction. More... | |
| NameList< char * > | userKeys |
| lookup table for Tcl scripts. More... | |
| NameList< char * > | userKeyDesc |
| describe what the hotkey does. More... | |
| int | UpdateDisplay |
| flag for whether to update the scene. More... | |
| int | exitFlag |
| flag for whether to quit the display loop. More... | |
| int | ResetViewPending |
| pending resetview needs attention. More... | |
| int | highlighted_molid |
| Highlighted molecule id and rep. Set by GraphicsFltkMenu, used by PickModeMoveHighlightedRep. More... | |
| int | highlighted_rep |
| Highlighted molecule id and rep. Set by GraphicsFltkMenu, used by PickModeMoveHighlightedRep. More... | |
Definition at line 119 of file VMDApp.h.
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set list of command line arguments.
Definition at line 142 of file VMDApp.C. References anim, argc_m, argv_m, atomSelParser, axes, background_processing_clear, commandQueue, display, exitFlag, fps, geometryList, highlighted_molid, highlighted_rep, imdMgr, materialList, moleculeList, NULL, pickList, pickModeList, ResetViewPending, scene, stage, uiText, uivr, and UpdateDisplay. |
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Definition at line 579 of file VMDApp.C. References anim, atomSelParser, axes, commandQueue, cuda, NameList< char * >::data, NameList< VMDMenu * >::data, display, fps, geometryList, imdMgr, materialList, moleculeList, NULL, NameList< char * >::num, NameList< VMDMenu * >::num, pickList, pickModeList, scene, stage, DisplayDevice::supports_gui, uiText, uivr, userKeyDesc, userKeys, and vmdcollab. |
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Activate Fltk menus; this should be called only once and only after VMDinit. Return success.
Definition at line 2594 of file VMDApp.C. References NameList< VMDMenu * >::add_name, display, VMDMenu::get_name, UIObject::On, DisplayDevice::supports_gui, and uivr. Referenced by VMDinit. |
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Definition at line 391 of file VMDApp.C. References NameList< VMDMenu * >::add_name, VMDMenu::get_name, and NameList< VMDMenu * >::typecode. Referenced by addmenu, registermenu, and text_cmd_menu. |
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Definition at line 902 of file VMDApp.C. References Animation::ANIM_TOTAL_DIRS, and NULL. |
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Methods for affecting the animation. Only _active_ molecules are affected. I consider this a mistake: it would be better to be able to specify the animation settings for a particular molecule by specify a molecule ID. However, this would make it impossible to log Tcl commands using our current syntax because the Tcl commands operate on all active molecules. If we ever create new Tcl commands and/or deprecate the old ones, we can (and should) change thse API's. Note that there are no get-methods here because you would need to query molecules individually. The Tcl commands just return the value for the top molecule; they can continue to do so, but the API should be per molecule. number of animation direction choices, and their names.
Definition at line 898 of file VMDApp.C. References Animation::ANIM_TOTAL_DIRS. |
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number of animation styles, and their names.
Definition at line 914 of file VMDApp.C. References Animation::ANIM_TOTAL_STYLES. |
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set the animation direction for all active molecules.
Definition at line 907 of file VMDApp.C. References anim, Animation::anim_dir, Animation::AnimDir, commandQueue, and CommandQueue::runcommand. Referenced by Spaceball::check_event, forward, forward_cb, next, next_cb, pause, prev, prev_cb, reverse, reverse_cb, and text_cmd_animate. |
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set the animation frame for all active molecules. If the specified frame is out of range for a particular molecule, then its frame will not change. If frame is -1, go to the first frame. If frame is -2, go to the last frame.
Definition at line 930 of file VMDApp.C. References anim, Animation::anim_dir, Animation::ANIM_PAUSE, commandQueue, Animation::goto_frame, and CommandQueue::runcommand. Referenced by anim_goto, curframe_cb, start_cb, stop_cb, and text_cmd_animate. |
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set the animation speed. Must be a float between 0 and 1. 1 means animate as fast as possible; 0 means pause at least 0.5 seconds between frames.
Definition at line 943 of file VMDApp.C. References anim, commandQueue, CommandQueue::runcommand, and Animation::speed. Referenced by Spaceball::check_event, speed, speed_cb, and text_cmd_animate. |
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set the stride for animation. Must be >= 1.
Definition at line 937 of file VMDApp.C. References anim, commandQueue, CommandQueue::runcommand, and Animation::skip. Referenced by Spaceball::check_event, skip, step_cb, and text_cmd_animate. |
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set the animation style for all active molecules.
Definition at line 923 of file VMDApp.C. References anim, Animation::anim_style, Animation::AnimStyle, commandQueue, and CommandQueue::runcommand. Referenced by MainFltkMenu::act_on_command, loop, once, rock, style_cb, and text_cmd_animate. |
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Definition at line 918 of file VMDApp.C. References Animation::ANIM_TOTAL_STYLES, and NULL. |
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Definition at line 2526 of file |