xmdview.c

一个很好的分子动力学程序

	
	return;
}

void OKRotationFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	Widget dialog = (Widget) client_data;
	String increment;
	
	XtPopdown(rotationShell_m);
	XtSetSensitive(setRotationButton_m, True);

	increment = XawDialogGetValueString(dialog);

	RotationIncrement_m = atof(increment);
	RotationIncrement_m *= DEG_TO_RAD;

	return;
}

void CancelRotationFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	XtPopdown(rotationShell_m);
	XtSetSensitive(setRotationButton_m, True);

	return;
}

void SetMoveButtonFunction(Widget w, 
							 XtPointer client_data,
							 XtPointer call_data)
{
	Widget topLevel = (Widget) client_data;
	Position x, y;
	Dimension width, height;

	/* Decide where to put Move shell */
	/* Translate those coordinates into coordinates from root window origin */
	XtTranslateCoords(topLevel, (Position) 0, (Position) 0, &x, &y);
	
	/* Move popup shell to this position (still not visible) */
	XtVaSetValues(moveShell_m, XtNx, x, XtNy, y, NULL);
	
	return;
}

void OKMoveFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	Widget dialog = (Widget) client_data;
	String increment;

	XtPopdown(moveShell_m);
	XtSetSensitive(setMoveButton_m, True);

	increment = XawDialogGetValueString(dialog);
	MoveIncrement_m = atof(increment);

	return;
}

void CancelMoveFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	XtPopdown(moveShell_m);
	XtSetSensitive(setMoveButton_m, True);

	return;
}

void SetZoomButtonFunction(Widget w, 
							 XtPointer client_data,
							 XtPointer call_data)
{
	Widget topLevel = (Widget) client_data;
	Position x, y;
	Dimension width, height;

	/* Decide where to put Move shell */
	/* Translate those coordinates into coordinates from root window origin */
	XtTranslateCoords(topLevel, (Position) 0, (Position) 0, &x, &y);
	
	/* Move popup shell to this position (still not visible) */
	XtVaSetValues(zoomShell_m, XtNx, x, XtNy, y, NULL);
	
	return;
}

void OKZoomFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	Widget dialog = (Widget) client_data;
	String increment;

	XtPopdown(zoomShell_m);
	XtSetSensitive(setZoomButton_m, True);

	increment = XawDialogGetValueString(dialog);
	ZoomIncrement_m = atof(increment);	

	return;
}

void CancelZoomFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	XtPopdown(zoomShell_m);
	XtSetSensitive(setZoomButton_m, True);

	return;
}

void SetAtomButtonFunction(Widget w, 
							 XtPointer client_data,
							 XtPointer call_data)
{
	Widget topLevel = (Widget) client_data;
	Position x, y;
	Dimension width, height;

	/* Decide where to put Move shell */
	/* Translate those coordinates into coordinates from root window origin */
	XtTranslateCoords(topLevel, (Position) 0, (Position) 0, &x, &y);
	
	/* Move popup shell to this position (still not visible) */
	XtVaSetValues(atomShell_m, XtNx, x, XtNy, y, NULL);
	
	return;
}

void OKAtomFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	Widget dialog = (Widget) client_data;
	String increment;

	XtPopdown(atomShell_m);
	XtSetSensitive(setAtomButton_m, True);
	
	increment = XawDialogGetValueString(dialog);

	/* Check to make sure input is reasonable */
	if (atof(increment) > 0)
		AtomIncrement_m = atof(increment);
	else
		{
		printf("\nError: Atom size must be positive.\n");
		fflush(stdout);
		}

	return;
}

void CancelAtomFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	XtPopdown(atomShell_m);
	XtSetSensitive(setAtomButton_m, True);

	return;
}

void SetAtomCenSizeButtonFunction(Widget w, 
						     	   XtPointer client_data,
							      XtPointer call_data)
{
	Widget topLevel = (Widget) client_data;
	Position x, y;
	Dimension width, height;

	/* Decide where to put Move shell */
	/* Translate those coordinates into coordinates from root window origin */
	XtTranslateCoords(topLevel, (Position) 0, (Position) 0, &x, &y);
	
	/* Move popup shell to this position (still not visible) */
	XtVaSetValues(atomCenSizeShell_m, XtNx, x, XtNy, y, NULL);
	
	return;
}

void OKAtomCenSizeFunction(Widget w,
						  XtPointer client_data,
						  XtPointer call_data)
{
	Widget dialog = (Widget) client_data;
	String input;

	XtPopdown(atomCenSizeShell_m);
	XtSetSensitive(setAtomCenSizeButton_m, True);
	
	input = XawDialogGetValueString(dialog);

	/* Check to make sure input is reasonable */
	if ((atof(input) >= 0.0) && (atof(input) <= 100.0))
		AtomCenSize_m = atof(input);
	else
		{
		printf("\nError:  Atom center size must be between 0 and 100.\n");
		fflush(stdout);
		}

	return;
}

void CancelAtomCenSizeFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	XtPopdown(atomCenSizeShell_m);
	XtSetSensitive(setAtomCenSizeButton_m, True);

	return;
}

void SetAtomCenPosButtonFunction(Widget w, 
						     	   XtPointer client_data,
							      XtPointer call_data)
{
	Widget topLevel = (Widget) client_data;
	Position x, y;
	Dimension width, height;

	/* Decide where to put Move shell */
	/* Translate those coordinates into coordinates from root window origin */
	XtTranslateCoords(topLevel, (Position) 0, (Position) 0, &x, &y);
	
	/* Move popup shell to this position (still not visible) */
	XtVaSetValues(atomCenPosShell_m, XtNx, x, XtNy, y, NULL);
	
	return;
}

void OKAtomCenPosFunction(Widget w,
						  XtPointer client_data,
						  XtPointer call_data)
{
	Widget dialog = (Widget) client_data;
	String input;
	double xPos, yPos;
	char *Str;

	XtPopdown(atomCenPosShell_m);
	XtSetSensitive(setAtomCenPosButton_m, True);
	
	input = XawDialogGetValueString(dialog);

	xPos = 0.0;
	yPos = 0.0;
	xPos = strtod(input, &Str);
	yPos = strtod(Str, &Str);;
	/* Check to make sure input is reasonable */
	if ((xPos >= -100.0) && (xPos <= 100.0) && (yPos >= -100.0) && (yPos <= 100.0))
		{
		AtomCenPos_m[0] = -xPos;
		AtomCenPos_m[1] = yPos;
		}
	else
		{
		printf("\nError:  Atom center position must be between 0 and 100.\n");
		fflush(stdout);
		}

	return;
}

void CancelAtomCenPosFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	XtPopdown(atomCenPosShell_m);
	XtSetSensitive(setAtomCenPosButton_m, True);

	return;
}

void ClipAtomsButtonFunction(Widget w, XtPointer client_data, XtPointer call_data)
{
	if (Clip_m == TRUE)
		{
		Clip_m = FALSE;
		XtVaSetValues(clipAtomsButton_m, XtNleftMargin, 4, XtNleftBitmap, None, NULL);
		}
	else 
		{
		Clip_m = TRUE;
		XtVaSetValues(clipAtomsButton_m, XtNleftMargin, checkmark_width, 
                    XtNleftBitmap, Mark_m, NULL);
		}

	REFRESH
	return;
}

void GotoStepButtonFunction(Widget w,
									 XtPointer client_data,
									 XtPointer call_data)
{
	Widget topLevel = (Widget) client_data;
	Position x, y;
	Dimension width, height;

	/* Decide where to put Rotation shell */
	/* Translate those coordinates into coordinates from root window origin */
	XtTranslateCoords(topLevel, (Position) 0, (Position) 0, &x, &y);
	
	/* Move popup shell to this position (still not visible) */
	XtVaSetValues(gotoShell_m, XtNx, x, XtNy, y, NULL);
	
	return;
}

void OKGotoFunction(Widget w,
						  XtPointer client_data,
						  XtPointer call_data)
{
	Widget dialog = (Widget) client_data;
	String input;
	int GotoStep;
	int filepos;
	
	XtPopdown(gotoShell_m);
	XtSetSensitive(gotoButton_m, True);

	input = XawDialogGetValueString(dialog);
	GotoStep = atoi(input);

	if (GotoStep >= 0)
		{
		if (CurLocation_m->Step > GotoStep)
			{
			while ((CurLocation_m->Step > GotoStep) && (CurLocation_m != FileMarkers_m.Head))
			   CurLocation_m = CurLocation_m->Prev;
			fseek(InputFile_m, CurLocation_m->Mark, SEEK_SET);
			ReadNextStep(InputFile_m, InputFileName_m, a, &Step_m, 
                      CenterGeom_m, TypeList_m);
			}
		else
			{
			if (FileMarkers_m.Closed == TRUE)
				{
				while ((CurLocation_m->Step < GotoStep) && 
						 (CurLocation_m != FileMarkers_m.Tail))
					CurLocation_m = CurLocation_m->Next;
				fseek(InputFile_m, CurLocation_m->Mark, SEEK_SET);
				ReadNextStep(InputFile_m, InputFileName_m, a, &Step_m, 
                      CenterGeom_m, TypeList_m);
				}
			else
				{	
				while ((CurLocation_m->Step < GotoStep) && 
            	    (FileMarkers_m.Closed == FALSE))
					{
					if (CurLocation_m->Next != NULL)
						CurLocation_m = CurLocation_m->Next;
					else
						{
						filepos = ftell(InputFile_m);
						ReadNextStep(InputFile_m, InputFileName_m, a, &Step_m, 
                      			 CenterGeom_m, TypeList_m);
						if (AddNodeToList(&FileMarkers_m, filepos, Step_m))
							{
							CurLocation_m = CurLocation_m->Next;
							if (feof(InputFile_m))
								{
								/* Last node wil be junk so get rid of it. */
								RemLastNodeFromList(&FileMarkers_m);
								CloseList(&FileMarkers_m);
								CurLocation_m = FileMarkers_m.Tail;
								fseek(InputFile_m, CurLocation_m->Mark, SEEK_SET);
								ReadNextStep(InputFile_m, InputFileName_m, a, &Step_m, 
                      					 CenterGeom_m, TypeList_m);
								} /* End if eof */
							} /* End	if added file mark okay */
						} /* End if no next node */
					} /* End while current step is less than goto step */
				} /* End if file mark list is not closed */
			} /* End if current step is less than goto step */	
	   REFRESH
		} /* End if goto step is >= 0 */
	else 
		{
		printf("\nError:  Goto Step must be positive.\n");
		fflush(stdout);
		}

	return;
}

void CancelGotoFunction(Widget w,
								XtPointer client_data,
								XtPointer call_data)
{
	XtPopdown(gotoShell_m);
	XtSetSensitive(gotoButton_m, True);

	return;
}

/*
 * Filter Menu Button functions
 */
void filtnghButtonFunction(Widget w, XtPointer client_data, XtPointer call_data)
{
	Widget topLevel = (Widget) client_data;
	Position x, y;
	Dimension width, height;
	Widget Dialog;
	Widget OKButton, CancelButton;
	
	XtTranslateCoords(topLevel, (Position) 0, (Position) 0, &x, &y);
	XtVaSetValues(filtnghShell_m, XtNx, x, XtNy, y, NULL);

	Dialog = XtVaCreateManagedWidget("filtnghDialog", dialogWidgetClass, 
												filtnghShell_m, NULL);
	OKButton = XtVaCreateManagedWidget("OK", commandWidgetClass,
												  Dialog, NULL);
	CancelButton = XtVaCreateManagedWidget("Cancel", commandWidgetClass,
													   Dialog, NULL);	

	XtVaSetValues(Dialog, XtNlabel, "Filtngh", XtNvalue, "1.2,1.4", NULL);