xmdview.c

一个很好的分子动力学程序

				ColorFileName_m = strdup (argv[2]);
				iopt=3;
				}
			else 
				PrintUsage();
			}
		else if ('-'==argv[1][0]) 
			PrintUsage();
		}


	/* Set initial size of window */
	XtVaSetValues(topLevel, XtNheight, 500, NULL);

	/*
	 * Make other widgets.
	 */
	frameWindow = XtVaCreateManagedWidget("frameWindow", boxWidgetClass, topLevel, NULL);
	XtAddEventHandler(frameWindow, ExposureMask, False, (XtEventHandler)RefreshScreen, NULL);
	XtAddEventHandler(frameWindow, ButtonPress, True, (XtEventHandler)ShowAtomsPosFunction, NULL);
	menuBar = XtVaCreateManagedWidget("menuBar", boxWidgetClass, frameWindow, XtNx, 0, XtNy, 0, NULL);
	XtVaSetValues(menuBar, XtNorientation, XtorientHorizontal, XtNborderWidth, 0, NULL);
	
	/*
	 * Create the various menus and buttons. 
	 */
	MakeFileMenu(menuBar, topLevel, &fileButton, &fileMenu,
					&openButton_m, &fileShell_m, &fileSelDialog,
					&fileOKButton, &fileCancelButton,
					&printButton_m, &printShell_m,
					&printDialog, &printOKButton, &printCancelButton,
               &quitButton);
	MakeOptionsMenu(menuBar, topLevel, &optionsButton, &optionsMenu,
					&resetButton, 
					&setRotationButton_m, &rotationShell_m,
					&rotationDialog, &rotationOKButton, &rotationCancelButton,
					&setMoveButton_m, &moveShell_m,
					&moveDialog, &moveOKButton, &moveCancelButton,
					&setZoomButton_m, &zoomShell_m,
				   &zoomDialog, &zoomOKButton, &zoomCancelButton,
					&setAtomButton_m, &atomShell_m,
					&atomDialog, &atomOKButton, &atomCancelButton,
					&refOrientButton_m, &refOrientShell_m,
					&refOrientDialog, &refOrientOKButton, &refOrientCancelButton,
					&setAtomCenSizeButton_m, &atomCenSizeShell_m,
					&atomCenSizeDialog, &atomCenSizeOKButton, &atomCenSizeCancelButton,
					&setAtomCenPosButton_m, &atomCenPosShell_m,
					&atomCenPosDialog, &atomCenPosOKButton, &atomCenPosCancelButton,
					&atNumButton_m, &stereoButton_m, &hideAtomsButton_m,
               &unHideAtomsButton, &clipAtomsButton_m,
				   &gotoButton_m, &gotoShell_m,
					&gotoDialog, &gotoOKButton, &gotoCancelButton);
	MakeFilterMenu(menuBar, topLevel, &filterButton, &filterMenu, &filtnghButton_m,
						&filtnghShell_m, &filtnghDialog);
	MakeHelpMenu(menuBar, topLevel, &helpButton, &helpMenu,
					&topicButton_m, &topicShell_m, &topicForm, &topicLabel, &topicOKButton,
					&aboutButton_m, &aboutShell_m, &aboutDialog, &aboutOKButton);
	MakeToolBar(menuBar, &firstToolButton, &backToolButton, 
					&nextToolButton, &lastToolButton, &resetToolButton,
					&rtLeftToolButton, &rtRightToolButton, &rtUpToolButton,
					&rtDownToolButton, &mvLeftToolButton, &mvRightToolButton,
					&mvUpToolButton, &mvDownToolButton, &zmInToolButton,
					&zmOutToolButton, &atPlusToolButton, &atMinusToolButton,
					&stAnglePlusToolButton, &stAngleMinusToolButton,
					&atTypeToolButton_m);

	/*
	 * Add keyboard accelerators to allow keyboard command entry 
    */
	XtInstallAllAccelerators(frameWindow, menuBar);

	/*
	 * Create windows for widgets and map them, i.e. make everything visible.
	 */
	XtRealizeWidget(topLevel);

	/*
    * Set up Display_m, Window_m, Graphics Contexts, and Mark_m (inside SetUpGCs)
    */
	Display_m = XtDisplay(frameWindow);
	Window_m = XtWindow(frameWindow);
	SetUpGCs(&frameWindow);

	/*  Get data file name  */
	if (iopt<argc)
		{
		strcpy(InputFileName_m, argv[iopt]);
		if (OpenFile(InputFileName_m, &InputFile_m) == TRUE)
			{
			InitializeParticle(&a);
			ReadNextStep(InputFile_m, InputFileName_m, a, &Step_m, 
								 CenterGeom_m, TypeList_m);
			UnHideAtomsButtonFunction(NULL, NULL, NULL);
			RefreshScreen(frameWindow, NULL, NULL);
			/* Initialize file mark list */
			InitList(&FileMarkers_m);
			AddNodeToList(&FileMarkers_m, 0, Step_m);
			CurLocation_m = FileMarkers_m.Head;
			}
		}
		
	/*
	 * Loop for events.
	 */
	XtAppMainLoop(app_context);
}

/*
 * Menu creation functions
 */
void MakeFileMenu(Widget parent, 
						Widget top,
						Widget *fileB,
						Widget *menu,
						Widget *openB,
						Widget *fileS,
						Widget *fileSelD,
					   Widget *fileOKB,
						Widget *fileCancelB,
						Widget *printB,
						Widget *printS,
						Widget *printD,
						Widget *printOKB,
						Widget *printCancelB,
						Widget *quitB)
{
	*fileB = XtVaCreateManagedWidget(
						"File",          /* Name to appear on widget */
						menuButtonWidgetClass, /* Class of widget */
						parent,                /* Parent of widget */
						NULL);                 /* Terminate varargs list */
	*menu = XtCreatePopupShell("menu", simpleMenuWidgetClass,
										*fileB, NULL, 0);

	/* Create the buttons inside the menu */	
	*openB = XtVaCreateManagedWidget("Open", smeBSBObjectClass,
											 *menu, NULL);
	*printB = XtVaCreateManagedWidget("Print", smeBSBObjectClass,
												 *menu, NULL);
	*quitB = XtVaCreateManagedWidget("Quit", smeBSBObjectClass,
											 *menu, NULL);
	
	/* Create the Open File dialog box and buttons */
	*fileS = XtVaCreatePopupShell("fileShell", transientShellWidgetClass,
											top, NULL);
	*fileSelD = XtVaCreateManagedWidget("fileSelectionDialog", dialogWidgetClass,
													*fileS, NULL);
	*fileOKB = XtVaCreateManagedWidget("OK", commandWidgetClass,
								              *fileSelD, NULL);
	*fileCancelB = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
													   *fileSelD, NULL);

	/* Create the Print dialog box and buttons */
	*printS = XtVaCreatePopupShell("printShell", transientShellWidgetClass,
											 top, NULL);
	*printD = XtVaCreateManagedWidget("printDialog", dialogWidgetClass,
												 *printS, NULL);
	*printOKB = XtVaCreateManagedWidget("OK", commandWidgetClass,
													*printD, NULL);
	*printCancelB = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
													    *printD, NULL);

	/* Set label and default text for file dialog */
	XtVaSetValues(*fileS, XtNwidth, 500, NULL);
	XtVaSetValues(*fileSelD, XtNlabel, "New File", XtNvalue, "file", NULL);

	/* Set the label and default text for print dialog */
	XtVaSetValues(*printS, XtNwidth, 500, NULL);
	XtVaSetValues(*printD, XtNlabel, "Print PostScript File", XtNvalue, "file.ps", NULL);

	/* Add the callback functions */
	XtAddCallback(*openB, XtNcallback, OpenFileButtonFunction, top);
	XtAddCallback(*openB, XtNcallback, XtCallbackExclusive, *fileS);	
	XtAddCallback(*fileOKB, XtNcallback, OKFileFunction, *fileSelD);
	XtAddCallback(*fileCancelB, XtNcallback, CancelFileFunction, NULL);
	XtAddCallback(*printB, XtNcallback, PrintButtonFunction, top);
	XtAddCallback(*printB, XtNcallback, XtCallbackExclusive, *printS);
	XtAddCallback(*printOKB, XtNcallback, OKPrintFunction, *printD);
	XtAddCallback(*printCancelB, XtNcallback, CancelPrintFunction, NULL);

	XtAddCallback(*quitB,               /* Button which calls the function */
						XtNcallback,         /* When to call the function */
						QuitFunction,        /* Name of the function to call */
						NULL);               /* No data to pass to the function */

	return;
}

void MakeOptionsMenu(Widget parent,
						Widget top,
					 	Widget *optionsB, 
						Widget *menu,
						Widget *resetB,
						Widget *setRotationB,
						Widget *rotationS,
						Widget *rotationD,
						Widget *rotationOKB,
						Widget *rotationCancelB,
						Widget *setMoveB,
						Widget *moveS,
						Widget *moveD,
						Widget *moveOKB,
						Widget *moveCancelB,
						Widget *setZoomB,
						Widget *zoomS,
						Widget *zoomD,
						Widget *zoomOKB,
						Widget *zoomCancelB,
						Widget *setAtomB,
						Widget *atomS,
						Widget *atomD,
						Widget *atomOKB,
						Widget *atomCancelB,
						Widget *refOrientB,
						Widget *refOrientS,
						Widget *refOrientD,
						Widget *refOrientOKB,
						Widget *refOrientCancelB,
						Widget *setAtomCenSizeB,
						Widget *atomCenSizeS,
						Widget *atomCenSizeD,
						Widget *atomCenSizeOKB,
						Widget *atomCenSizeCancelB,
						Widget *setAtomCenPosB,
						Widget *atomCenPosS,
						Widget *atomCenPosD,
						Widget *atomCenPosOKB,
						Widget *atomCenPosCancelB,
						Widget *atNumB,
						Widget *stereoB,
					   Widget *hideAtomsB,
						Widget *unHideAtomsB,
						Widget *clipAtomsB,
						Widget *gotoB,
						Widget *gotoS,
						Widget *gotoD,
						Widget *gotoOKB,
						Widget *gotoCancelB)
{
	*optionsB = XtVaCreateManagedWidget("Options", menuButtonWidgetClass,
												    parent, NULL);

	*menu = XtCreatePopupShell("menu", simpleMenuWidgetClass,
                              *optionsB, NULL, 0);

	/* Create the buttons inside the menu */
	*resetB = XtVaCreateManagedWidget("Reset Increments", smeBSBObjectClass,
												 *menu, NULL);
	*setRotationB = XtVaCreateManagedWidget("Set Rotation Increment", smeBSBObjectClass,
												  *menu, NULL);
	*setMoveB = XtVaCreateManagedWidget("Set Move Increment", smeBSBObjectClass,
												  *menu, NULL);
		
	*setZoomB = XtVaCreateManagedWidget("Set Zoom Increment", smeBSBObjectClass,
												 *menu, NULL);
	*setAtomB = XtVaCreateManagedWidget("Set Atom Increment", smeBSBObjectClass,
													  *menu, NULL);
	*refOrientB = XtVaCreateManagedWidget("Set Reference Orientation", smeBSBObjectClass,
													  *menu, NULL);
	*setAtomCenSizeB = XtVaCreateManagedWidget("Set Atom Center Size", smeBSBObjectClass,
													  *menu, NULL);
	*setAtomCenPosB = XtVaCreateManagedWidget("Set Atom Center Position", smeBSBObjectClass,
															*menu, NULL);
	*atNumB = XtVaCreateManagedWidget("Atom Numbers", smeBSBObjectClass,
												  *menu, NULL);
	*stereoB = XtVaCreateManagedWidget("Stereo Vision", smeBSBObjectClass,
													*menu, NULL);
	*hideAtomsB = XtVaCreateManagedWidget("Hide Atoms", smeBSBObjectClass,
													  *menu, NULL);	
	*unHideAtomsB = XtVaCreateManagedWidget("Show All Atoms", smeBSBObjectClass,
													  *menu, NULL);	
	*clipAtomsB = XtVaCreateManagedWidget("Clip Atoms", smeBSBObjectClass,
													  *menu, NULL);	
	*gotoB = XtVaCreateManagedWidget("Goto Step", smeBSBObjectClass,
												*menu, NULL);

	/* Create the Set Reference Orientation dialog and buttons */
	*refOrientS = XtVaCreatePopupShell("refOrientShell", transientShellWidgetClass,
													top, NULL);
	*refOrientD = XtVaCreateManagedWidget("refOrientDialog", dialogWidgetClass,
													  *refOrientS, NULL);
	*refOrientOKB = XtVaCreateManagedWidget("OK", commandWidgetClass,
													    *refOrientD, NULL);
	*refOrientCancelB = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
																*refOrientD, NULL);
	/* Create the Set Rotation dialog and buttons */
	*rotationS = XtVaCreatePopupShell("rotationShell", transientShellWidgetClass,
												 top, NULL);
	*rotationD = XtVaCreateManagedWidget("rotationDialog", dialogWidgetClass,
													 *rotationS, NULL);
	*rotationOKB = XtVaCreateManagedWidget("OK", commandWidgetClass,
														*rotationD, NULL);
	*rotationCancelB = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
															 *rotationD, NULL);
	/* Create the Set Move dialog and buttons */
	*moveS = XtVaCreatePopupShell("moveShell", transientShellWidgetClass,
										  top, NULL);
	*moveD = XtVaCreateManagedWidget("moveDialog", dialogWidgetClass,
												*moveS, NULL);
	*moveOKB = XtVaCreateManagedWidget("OK", commandWidgetClass,
												  *moveD, NULL);
	*moveCancelB = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
													   *moveD, NULL);
	/* Create the Set Zoom dialog and buttons */
	*zoomS = XtVaCreatePopupShell("zoomShell", transientShellWidgetClass,
										   top, NULL);
	*zoomD = XtVaCreateManagedWidget("zoomDialog", dialogWidgetClass,
											   *zoomS, NULL);
	*zoomOKB = XtVaCreateManagedWidget("OK", commandWidgetClass,
												  *zoomD, NULL);
	*zoomCancelB = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
														*zoomD, NULL);

	/* Create the Set Atom dialog and buttons */
	*atomS = XtVaCreatePopupShell("atomShell", transientShellWidgetClass,
										   top, NULL);
	*atomD = XtVaCreateManagedWidget("atomDialog", dialogWidgetClass,
											   *atomS, NULL);
	*atomOKB = XtVaCreateManagedWidget("OK", commandWidgetClass,
												  *atomD, NULL);
	*atomCancelB = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
														*atomD, NULL);

	/* Create the Set Atom Center Size dialog and buttons */
	*atomCenSizeS = XtVaCreatePopupShell("atomCenSizeShell", transientShellWidgetClass,
									   top, NULL);
	*atomCenSizeD = XtVaCreateManagedWidget("atomCenSizeDialog", dialogWidgetClass,
											   *atomCenSizeS, NULL);
	*atomCenSizeOKB = XtVaCreateManagedWidget("OK", commandWidgetClass,
												  *atomCenSizeD, NULL);
	*atomCenSizeCancelB = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
														*atomCenSizeD, NULL);

	/* Create the Set Atom Center Position dialog and buttons */
	*atomCenPosS = XtVaCreatePopupShell("atomCenPosShell", transientShellWidgetClass,
									   top, NULL);
	*atomCenPosD = XtVaCreateManagedWidget("atomCenPosDialog", dialogWidgetClass,
											   *atomCenPosS, NULL);
	*atomCenPosOKB = XtVaCreateManagedWidget("OK", commandWidgetClass,
												  *atomCenPosD, NULL);
	*atomCenPosCancelB = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
														*atomCenPosD, NULL);

	/* Create the Goto Step dialog and buttons */
	*gotoS = XtVaCreatePopupShell("gotoShell", transientShellWidgetClass,
										   top, NULL);
	*gotoD = XtVaCreateManagedWidget("gotoDialog", dialogWidgetClass,
											   *gotoS, NULL);
	*gotoOKB = XtVaCreateManagedWidget("OK", commandWidgetClass,
												  *gotoD, NULL);
	*gotoCancelB = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
														*gotoD, NULL);

	/* Set labels and default values for dialogs */
	XtVaSetValues(*refOrientS, XtNwidth, 500, NULL);
	XtVaSetValues(*refOrientD, XtNlabel, "Reference Orientation Axes\n"
                                        "x1 y1 z1 x2 y2 z2 x3 y3 z3\n"
                                        "(default = 1 0 0 0 1 0 0 0 1)", 
                 XtNvalue, "1 0 0 0 1 0 0 0 1", NULL);
	XtVaSetValues(*rotationD, XtNlabel, "Rotation Increment (degrees)", 
					  XtNvalue, "5.0", NULL);
	XtVaSetValues(*moveD, XtNlabel, "Move Increment (cm)", XtNvalue, "1e-8", NULL);
	XtVaSetValues(*zoomD, XtNlabel, "Zoom Factor Increment", XtNvalue, "0.1", NULL);
	XtVaSetValues(*atomD, XtNlabel, "Atom Size Increment", XtNvalue, "0.1e-8", NULL);	
	XtVaSetValues(*atomCenSizeD, XtNlabel, "Atom Center Size (percentage, 0 to 100)", XtNvalue, "0", NULL);
	XtVaSetValues(*atomCenPosD, XtNlabel, "Atom Center Position (percentage, -100 to 100)\n"
                                         "xValue yValue (default = 0 0)", 
                 XtNvalue, "0", NULL); 
	XtVaSetValues(*gotoD, XtNlabel, "Goto Step", XtNvalue, "0", NULL);	

	/* Add the callback functions */
	XtAddCallback(*resetB, XtNcallback, ResetIncrementsFunction, NULL);

	XtAddCallback(*refOrientB, XtNcallback, SetRefOrientButtonFunction, top);
	XtAddCallback(*refOrientB, XtNcallback, XtCallbackExclusive, *refOrientS);
	XtAddCallback(*refOrientOKB, XtNcallback, OKRefOrientFunction, *refOrientD);
	XtAddCallback(*refOrientCancelB, XtNcallback, CancelRefOrientFunction, *refOrientD);

	XtAddCallback(*setRotationB, XtNcallback, SetRotationButtonFunction, top);
	XtAddCallback(*setRotationB, XtNcallback, XtCallbackExclusive, *rotationS);
	XtAddCallback(*rotationOKB, XtNcallback, OKRotationFunction, *rotationD);
	XtAddCallback(*rotationCancelB, XtNcallback, CancelRotationFunction, *rotationD);

	XtAddCallback(*setMoveB, XtNcallback, SetMoveButtonFunction, top);
	XtAddCallback(*setMoveB, XtNcallback, XtCallbackExclusive, *moveS);
	XtAddCallback(*moveOKB, XtNcallback, OKMoveFunction, *moveD);
	XtAddCallback(*moveCancelB, XtNcallback, CancelMoveFunction, *moveD);

	XtAddCallback(*setZoomB, XtNcallback, SetZoomButtonFunction, top);
	XtAddCallback(*setZoomB, XtNcallback, XtCallbackExclusive, *zoomS);	
	XtAddCallback(*zoomOKB, XtNcallback, OKZoomFunction, *zoomD);
	XtAddCallback(*zoomCancelB, XtNcallback, CancelZoomFunction, *zoomD);

	XtAddCallback(*setAtomB, XtNcallback, SetAtomButtonFunction, top);
	XtAddCallback(*setAtomB, XtNcallback, XtCallbackExclusive, *atomS);	
	XtAddCallback(*atomOKB, XtNcallback, OKAtomFunction, *atomD);
	XtAddCallback(*atomCancelB, XtNcallback, CancelAtomFunction, *atomD);

	XtAddCallback(*setAtomCenSizeB, XtNcallback, SetAtomCenSizeButtonFunction, top);
	XtAddCallback(*setAtomCenSizeB, XtNcallback, XtCallbackExclusive, *atomCenSizeS);	
	XtAddCallback(*atomCenSizeOKB, XtNcallback, OKAtomCenSizeFunction, *atomCenSizeD);
	XtAddCallback(*atomCenSizeCancelB, XtNcallback, CancelAtomCenSizeFunction, *atomCenSizeD);

	XtAddCallback(*setAtomCenPosB, XtNcallback, SetAtomCenPosButtonFunction, top);
	XtAddCallback(*setAtomCenPosB, XtNcallback, XtCallbackExclusive, *atomCenPosS);	
	XtAddCallback(*atomCenPosOKB, XtNcallback, OKAtomCenPosFunction, *atomCenPosD);
	XtAddCallback(*atomCenPosCancelB, XtNcallback, CancelAtomCenPosFunction, *atomCenPosD);

	XtAddCallback(*atNumB, XtNcallback, AtNumsButtonFunction, NULL);
	XtAddCallback(*stereoB, XtNcallback, StereoButtonFunction, NULL);
	XtAddCallback(*hideAtomsB, XtNcallback, HideAtomsButtonFunction, NULL);
	XtAddCallback(*unHideAtomsB, XtNcallback, UnHideAtomsButtonFunction, NULL);

	XtAddCallback(*clipAtomsB, XtNcallback, ClipAtomsButtonFunction, NULL);

	XtAddCallback(*gotoB, XtNcallback, GotoStepButtonFunction, top);
	XtAddCallback(*gotoB, XtNcallback, XtCallbackExclusive, *gotoS);	
	XtAddCallback(*gotoOKB, XtNcallback, OKGotoFunction, *gotoD);
	XtAddCallback(*gotoCancelB, XtNcallback, CancelGotoFunction, *gotoD);

	return;
}

void MakeFilterMenu(Widget parent,
						  Widget top,
						  Widget *filterB,
						  Widget *menu,
						  Widget *filtnghB,
						  Widget *filtnghS,
						  Widget *filtnghD)
{