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vmd.C File Reference

#include <stdlib.h>
#include <stdio.h>
#include "vmd.h"
#include "VMDApp.h"
#include "utilities.h"
#include "config.h"
#include "WKFThreads.h"
#include "Inform.h"
#include "CommandQueue.h"
#include "TextEvent.h"
#include "MaterialList.h"
#include "SymbolTable.h"
#include <FL/Fl.H>
#include "cave_ogl.h"
#include "CaveRoutines.h"
#include "freevr.h"
#include "FreeVRRoutines.h"
#include <tcl.h>
#include <signal.h>

Go to the source code of this file.

Defines

#define DISPLAY_USES_WINDOW(d)   ((d) == DISPLAY_WIN || (d) == DISPLAY_WINOGL)
#define DISPLAY_USES_CAVE(d)   ((d) == DISPLAY_CAVE || (d) == DISPLAY_CAVEFORMS)
#define DISPLAY_USES_FREEVR(d)   ((d) == DISPLAY_FREEVR || (d) == DISPLAY_FREEVRFORMS)
#define DISPLAY_USES_GUI(d)   (DISPLAY_USES_WINDOW(d) || (d) == DISPLAY_CAVEFORMS || (d) == DISPLAY_FREEVRFORMS)

Typedefs

typedef void(* sighandler_t )(int)

Enumerations

enum  DisplayTypes {
  DISPLAY_WIN, DISPLAY_WINOGL, DISPLAY_CAVE, DISPLAY_TEXT,
  DISPLAY_CAVEFORMS, DISPLAY_FREEVR, DISPLAY_FREEVRFORMS, NUM_DISPLAY_TYPES
}
enum  TitleTypes { TITLE_OFF, TITLE_ON, NUM_TITLE_TYPES }

Functions

void VMDTclSigHandler (int)
int VMDTclAsyncProc (ClientData, Tcl_Interp *, int)
const char * vmd_initialize_tcl (const char *argv0)
 Application-level routine for initializing Tcl. This should be called before creating any instances of VMDApp. Returns pointer to argv0. More...

void vmd_finalize_tcl ()
 Call this after deleting last VMDApp instance, to ensure that all event handlers (like Tk) shut down cleanly. More...

void * vmd_resize_alloc (void *ptr, size_t oldsize, size_t newsize)
void VMDupdateFltk ()
void VMDtitle ()
void VMDGetOptions (int, char **)
int VMDinitialize (int *argc, char ***argv)
const char * VMDgetDisplayTypeName ()
void VMDgetDisplayFrame (int *loc, int *size)
void VMDshutdown ()
int parseColorDefs (const char *path, VMDApp *app)
int parseMaterialDefs (const char *path, VMDApp *app)
int parseRestypes (const char *path, VMDApp *app)
int parseAtomselMacros (const char *path, VMDApp *app)
void VMDreadInit (VMDApp *app)
void VMDreadStartup (VMDApp *app)

Variables

Tcl_AsyncHandler tclhandler
void *(* vmd_alloc )(size_t)
 function pointer to shared memory allocator/deallocator. More...

void(* vmd_dealloc )(void *)
void *(* vmd_realloc )(void *, size_t)
const char * displayTypeNames [NUM_DISPLAY_TYPES]
const char * titleTypeNames [NUM_TITLE_TYPES]
int showTitle = INIT_DEFTITLE
int which_display = INIT_DEFDISPLAY
float displayHeight = INIT_DEFHEIGHT
float displayDist = INIT_DEFDIST
int displaySize [2] = { -1, -1 }
int displayLoc [2] = { -1, -1 }
const char * startupFileStr
const char * beginCmdFile
int cmdFileUsesPython
int loadAsMolecules = 0
int startNewMolecule = 1
ResizeArray< int > startNewMoleculeFlags
ResizeArray< const char * > initFilenames
ResizeArray< const char * > initFiletypes
int eofexit = 0
int just_print_help = 0
ResizeArray< char * > customArgv

Define Documentation

#define DISPLAY_USES_CAVE (  d    )     ((d) == DISPLAY_CAVE || (d) == DISPLAY_CAVEFORMS)
 

Definition at line 206 of file vmd.C.

Referenced by VMDinitialize, and VMDshutdown.

#define DISPLAY_USES_FREEVR (  d    )     ((d) == DISPLAY_FREEVR || (d) == DISPLAY_FREEVRFORMS)
 

Definition at line 207 of file vmd.C.

Referenced by VMDinitialize, and VMDshutdown.

#define DISPLAY_USES_GUI (  d    )     (DISPLAY_USES_WINDOW(d) || (d) == DISPLAY_CAVEFORMS || (d) == DISPLAY_FREEVRFORMS)
 

Definition at line 208 of file vmd.C.

#define DISPLAY_USES_WINDOW (  d    )     ((d) == DISPLAY_WIN || (d) == DISPLAY_WINOGL)
 

Definition at line 205 of file vmd.C.

Typedef Documentation

typedef void(* sighandler_t)(int)
 

Definition at line 78 of file vmd.C.

Referenced by VMDinitialize, and VMDTclAsyncProc.

Enumeration Type Documentation

enum DisplayTypes
 

Enumeration values:
DISPLAY_WIN 
DISPLAY_WINOGL 
DISPLAY_CAVE 
DISPLAY_TEXT 
DISPLAY_CAVEFORMS 
DISPLAY_FREEVR 
DISPLAY_FREEVRFORMS 
NUM_DISPLAY_TYPES 

Definition at line 192 of file vmd.C.

enum TitleTypes
 

Enumeration values:
TITLE_OFF 
TITLE_ON 
NUM_TITLE_TYPES 

Definition at line 211 of file vmd.C.

Function Documentation

int parseAtomselMacros (  const char *    path,
VMDApp *    app
)  [static]
 

Definition at line 820 of file vmd.C.

References SymbolTable::add_custom_singleword, and VMDApp::atomSelParser.

Referenced by VMDreadInit.

int parseColorDefs (  const char *    path,
VMDApp *    app
)  [static]
 

Definition at line 724 of file vmd.C.

References VMDApp::color_add_item.

Referenced by VMDreadInit.

int parseMaterialDefs (  const char *    path,
VMDApp *    app
)  [static]
 

Definition at line 758 of file vmd.C.

References MAT_AMBIENT, MAT_DIFFUSE, MAT_OPACITY, MAT_OUTLINE, MAT_OUTLINEWIDTH, MAT_SHININESS, MAT_SPECULAR, MAT_TRANSMODE, VMDApp::material_add, VMDApp::material_change, and NULL.

Referenced by VMDreadInit.

int parseRestypes (  const char *    path,
VMDApp *    app
)  [static]
 

Definition at line 798 of file vmd.C.

References VMDApp::color_set_restype.

Referenced by VMDreadInit.

void vmd_finalize_tcl (    )  [static]
 

Call this after deleting last VMDApp instance, to ensure that all event handlers (like Tk) shut down cleanly.

Definition at line 127 of file vmd.C.

Referenced by VMDshutdown.

const char* vmd_initialize_tcl (  const char *    argv0 )  [static]
 

Application-level routine for initializing Tcl. This should be called before creating any instances of VMDApp. Returns pointer to argv0.

Definition at line 94 of file vmd.C.

References NULL.

Referenced by VMDinitialize.

void* vmd_resize_alloc (  void *    ptr,
size_t    oldsize,
size_t    newsize
) 
 

Definition at line 145 of file vmd.C.

References NULL, vmd_alloc, vmd_dealloc, and vmd_realloc.

void VMDgetDisplayFrame (  int *    loc,
int *    size
) 
 

Definition at line 435 of file vmd.C.

References displayLoc, and displaySize.

const char* VMDgetDisplayTypeName (    ) 
 

Definition at line 431 of file vmd.C.

References displayTypeNames, and which_display.

Referenced by main, and vmdinfo_tcl.

void VMDGetOptions (  int   ,
char **   
)  [static]
 

Definition at line 478 of file vmd.C.

References ResizeArray::append, beginCmdFile, cmdFileUsesPython, DISPLAY_CAVE, DISPLAY_CAVEFORMS, DISPLAY_FREEVR, DISPLAY_FREEVRFORMS, DISPLAY_TEXT, DISPLAY_WIN, DISPLAY_WINOGL, displayDist, displayHeight, displayLoc, displaySize, displayTypeNames, eofexit, just_print_help, loadAsMolecules, NULL, NUM_DISPLAY_TYPES, NUM_TITLE_TYPES, showTitle, startNewMolecule, startupFileStr, str_tokenize, strupcmp, TITLE_OFF, titleTypeNames, and which_display.

Referenced by VMDinitialize.

int VMDinitialize (  int *    argc,
char ***    argv
) 
 

Definition at line 256 of file vmd.C.

References ResizeArray::append, DISPLAY_TEXT, DISPLAY_USES_CAVE, DISPLAY_USES_FREEVR, DISPLAY_WIN, grab_CAVE_memory, grab_FreeVR_memory, just_print_help, macosxvmdstart, NULL, ResizeArray::num, sighandler_t, strupcmp, tclhandler, vmd_alloc, vmd_dealloc, vmd_get_avail_physmem_mb, vmd_get_avail_physmem_percent, vmd_initialize_tcl, vmd_mpi_init, vmd_realloc, vmd_sleep, VMDGetOptions, VMDTclAsyncProc, VMDTclSigHandler, VMDtitle, which_display, win32vmdstart, and wkf_thread_numprocessors.

void VMDreadInit (  VMDApp *    app ) 
 

Definition at line 844 of file vmd.C.

References NULL, parseAtomselMacros, parseColorDefs, parseMaterialDefs, and parseRestypes.

void VMDreadStartup (  VMDApp *    app ) 
 

Definition at line 882 of file vmd.C.

References beginCmdFile, VMDApp::commandQueue, VMDApp::display_set_screen_distance, VMDApp::display_set_screen_height, DISPLAY_TEXT, VMDApp::display_titlescreen, displayDist, displayHeight, eofexit, VMDApp::guess_filetype, VMDApp::logfile_read, VMDApp::molecule_load, NULL, ResizeArray::num, CommandQueue::runcommand, VMDApp::set_eofexit, showTitle, startupFileStr, stringdup, stripslashes, VMDApp::textinterp_change, TITLE_ON, FileSpec::waitfor, and which_display.

void VMDshutdown (    ) 
 

Definition at line 442 of file vmd.C.

References DISPLAY_USES_CAVE, DISPLAY_USES_FREEVR, vmd_finalize_tcl, vmd_mpi_fini, and which_display.

Referenced by main.

int VMDTclAsyncProc (  ClientData   ,
Tcl_Interp *   ,
int   
) 
 

Definition at line 84 of file vmd.C.

References sighandler_t, and VMDTclSigHandler.

Referenced by VMDinitialize.

void VMDTclSigHandler (  int    ) 
 

Definition at line 80 of file vmd.C.

References tclhandler.

Referenced by VMDinitialize, and VMDTclAsyncProc.

void VMDtitle (    )  [static]
 

Definition at line 460 of file vmd.C.

Referenced by VMDinitialize.

void VMDupdateFltk (    ) 
 

Definition at line 170 of file vmd.C.

Referenced by main.

Variable Documentation

const char* beginCmdFile [static]
 

Definition at line 228 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

int cmdFileUsesPython [static]
 

Definition at line 232 of file vmd.C.

Referenced by VMDGetOptions.

ResizeArray<char *> customArgv [static]
 

Definition at line 249 of file vmd.C.

float displayDist = INIT_DEFDIST [static]
 

Definition at line 222 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

float displayHeight = INIT_DEFHEIGHT [static]
 

Definition at line 221 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

int displayLoc[2] = { -1, -1 } [static]
 

Definition at line 224 of file vmd.C.

Referenced by VMDgetDisplayFrame, and VMDGetOptions.

int displaySize[2] = { -1, -1 } [static]
 

Definition at line 223 of file vmd.C.

Referenced by VMDgetDisplayFrame, and VMDGetOptions.

const char* displayTypeNames[NUM_DISPLAY_TYPES] [static]
 

Initial value:

 {
  "WIN",  "OPENGL", "CAVE", "TEXT", "CAVEFORMS", "FREEVR", "FREEVRFORMS"
}

Definition at line 202 of file vmd.C.

Referenced by VMDgetDisplayTypeName, and VMDGetOptions.

int eofexit = 0 [static]
 

Definition at line 247 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

ResizeArray<const char *> initFilenames [static]
 

Definition at line 243 of file vmd.C.

ResizeArray<const char *> initFiletypes [static]
 

Definition at line 244 of file vmd.C.

int just_print_help = 0 [static]
 

Definition at line 248 of file vmd.C.

Referenced by VMDGetOptions, and VMDinitialize.

int loadAsMolecules = 0 [static]
 

Definition at line 240 of file vmd.C.

Referenced by VMDGetOptions.

int showTitle = INIT_DEFTITLE [static]
 

Definition at line 219 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

int startNewMolecule = 1 [static]
 

Definition at line 241 of file vmd.C.

Referenced by VMDGetOptions.

ResizeArray<int> startNewMoleculeFlags [static]
 

Definition at line 242 of file vmd.C.

const char* startupFileStr [static]
 

Definition at line 227 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

Tcl_AsyncHandler tclhandler [static]
 

Definition at line 75 of file vmd.C.

Referenced by VMDinitialize, and VMDTclSigHandler.

const char* titleTypeNames[NUM_TITLE_TYPES] [static]
 

Initial value:

 {
  "OFF", "ON"
}

Definition at line 214 of file vmd.C.

Referenced by VMDGetOptions.

void*(* vmd_alloc)(size_t)
 

function pointer to shared memory allocator/deallocator.

Definition at line 139 of file vmd.C.

Referenced by VMDinitialize.

void(* vmd_dealloc)(void *)
 

Definition at line 140 of file vmd.C.

Referenced by VMDinitialize.

void*(* vmd_realloc)(void *, size_t)
 

Definition at line 141 of file vmd.C.

Referenced by vmd_resize_alloc, and VMDinitialize.

int which_display = INIT_DEFDISPLAY [static]
 

Definition at line 220 of file vmd.C.

Referenced by VMDgetDisplayTypeName, VMDGetOptions, VMDinitialize, VMDreadStartup, and VMDshutdown.

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