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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 "ProfileHooks.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_OGLPBUFFER, 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 mpienabled)
int VMDinitialize (int *argc, char ***argv, int mpienabled)
const char * VMDgetDisplayTypeName ()
void VMDgetDisplayFrame (int *loc, int *size)
void VMDshutdown (int mpienabled)
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 212 of file vmd.C.

Referenced by VMDinitialize, and VMDshutdown.

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

Definition at line 213 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 214 of file vmd.C.

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

Definition at line 211 of file vmd.C.

Typedef Documentation

typedef void(* sighandler_t)(int)
 

Definition at line 80 of file vmd.C.

Referenced by VMDinitialize, and VMDTclAsyncProc.

Enumeration Type Documentation

enum DisplayTypes
 

Enumeration values:
DISPLAY_WIN 
DISPLAY_WINOGL 
DISPLAY_OGLPBUFFER 
DISPLAY_CAVE 
DISPLAY_TEXT 
DISPLAY_CAVEFORMS 
DISPLAY_FREEVR 
DISPLAY_FREEVRFORMS 
NUM_DISPLAY_TYPES 

Definition at line 194 of file vmd.C.

enum TitleTypes
 

Enumeration values:
TITLE_OFF 
TITLE_ON 
NUM_TITLE_TYPES 

Definition at line 217 of file vmd.C.

Function Documentation

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

Definition at line 834 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 725 of file vmd.C.

References VMDApp::color_add_item.

Referenced by VMDreadInit.

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

Definition at line 766 of file vmd.C.

References MAT_AMBIENT, MAT_DIFFUSE, MAT_MIRROR, 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 807 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 131 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 97 of file vmd.C.

References NULL.

Referenced by VMDinitialize.

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

Definition at line 147 of file vmd.C.

References NULL, vmd_alloc, vmd_dealloc, and vmd_realloc.

void VMDgetDisplayFrame (  int *    loc,
int *    size
) 
 

Definition at line 432 of file vmd.C.

References displayLoc, displaySize, and size.

const char* VMDgetDisplayTypeName (    ) 
 

Definition at line 428 of file vmd.C.

References displayTypeNames, and which_display.

Referenced by main, and vmdinfo_tcl.

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

Definition at line 477 of file vmd.C.

References ResizeArray::append, beginCmdFile, cmdFileUsesPython, DISPLAY_CAVE, DISPLAY_CAVEFORMS, DISPLAY_FREEVR, DISPLAY_FREEVRFORMS, DISPLAY_OGLPBUFFER, 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,
int    mpienabled
) 
 

Definition at line 263 of file vmd.C.

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

void VMDreadInit (  VMDApp *    app ) 
 

Definition at line 864 of file vmd.C.

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

void VMDreadStartup (  VMDApp *    app ) 
 

Definition at line 902 of file vmd.C.

References beginCmdFile, VMDApp::commandQueue, DISPLAY_OGLPBUFFER, 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, PROFILE_POP_RANGE, PROFILE_PUSH_RANGE, CommandQueue::runcommand, VMDApp::set_eofexit, showTitle, startupFileStr, stringdup, stripslashes, VMDApp::textinterp_change, TITLE_ON, FileSpec::waitfor, and which_display.

void VMDshutdown (  int    mpienabled ) 
 

Definition at line 439 of file vmd.C.

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

int VMDTclAsyncProc (  ClientData   ,
Tcl_Interp *   ,
int   
) 
 

Definition at line 86 of file vmd.C.

References sighandler_t, and VMDTclSigHandler.

Referenced by VMDinitialize.

void VMDTclSigHandler (  int    ) 
 

Definition at line 82 of file vmd.C.

References tclhandler.

Referenced by VMDinitialize, and VMDTclAsyncProc.

void VMDtitle (    )  [static]
 

Definition at line 459 of file vmd.C.

Referenced by VMDinitialize.

void VMDupdateFltk (    ) 
 

Definition at line 172 of file vmd.C.

Referenced by main.

Variable Documentation

const char* beginCmdFile [static]
 

Definition at line 235 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

int cmdFileUsesPython [static]
 

Definition at line 239 of file vmd.C.

Referenced by VMDGetOptions.

ResizeArray<char *> customArgv [static]
 

Definition at line 256 of file vmd.C.

float displayDist = INIT_DEFDIST [static]
 

Definition at line 229 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

float displayHeight = INIT_DEFHEIGHT [static]
 

Definition at line 228 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

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

Definition at line 231 of file vmd.C.

Referenced by VMDgetDisplayFrame, and VMDGetOptions.

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

Definition at line 230 of file vmd.C.

Referenced by VMDgetDisplayFrame, and VMDGetOptions.

const char* displayTypeNames[NUM_DISPLAY_TYPES] [static]
 

Initial value:

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

Definition at line 206 of file vmd.C.

Referenced by VMDgetDisplayTypeName, and VMDGetOptions.

int eofexit = 0 [static]
 

Definition at line 254 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

ResizeArray<const char *> initFilenames [static]
 

Definition at line 250 of file vmd.C.

ResizeArray<const char *> initFiletypes [static]
 

Definition at line 251 of file vmd.C.

int just_print_help = 0 [static]
 

Definition at line 255 of file vmd.C.

Referenced by VMDGetOptions, and VMDinitialize.

int loadAsMolecules = 0 [static]
 

Definition at line 247 of file vmd.C.

Referenced by VMDGetOptions.

int showTitle = INIT_DEFTITLE [static]
 

Definition at line 226 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

int startNewMolecule = 1 [static]
 

Definition at line 248 of file vmd.C.

Referenced by VMDGetOptions.

ResizeArray<int> startNewMoleculeFlags [static]
 

Definition at line 249 of file vmd.C.

const char* startupFileStr [static]
 

Definition at line 234 of file vmd.C.

Referenced by VMDGetOptions, and VMDreadStartup.

Tcl_AsyncHandler tclhandler [static]
 

Definition at line 77 of file vmd.C.

Referenced by VMDinitialize, and VMDTclSigHandler.

const char* titleTypeNames[NUM_TITLE_TYPES] [static]
 

Initial value:

 {
  "OFF", "ON"
}

Definition at line 221 of file vmd.C.

Referenced by VMDGetOptions.

void*(* vmd_alloc)(size_t)
 

function pointer to shared memory allocator/deallocator.

Definition at line 141 of file vmd.C.

Referenced by VMDinitialize.

void(* vmd_dealloc)(void *)
 

Definition at line 142 of file vmd.C.

Referenced by VMDinitialize.

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

Definition at line 143 of file vmd.C.

Referenced by vmd_resize_alloc, and VMDinitialize.

int which_display = INIT_DEFDISPLAY [static]
 

Definition at line 227 of file vmd.C.

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

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