xmdview.c

一个很好的分子动力学程序

	return;
}

/*
 * Help Menu Button functions
 */
void ShowTopicsFunction(Widget w,
								XtPointer client_data,
						      XtPointer call_data)
{
	Widget topLevel = (Widget) client_data;
	Position x, y;

	XtTranslateCoords(topLevel, (Position) 0, (Position) 0, &x, &y);
	XtVaSetValues(topicShell_m, XtNx, x, XtNy, y, NULL);

	return;
}

void OKTopicFunction(Widget w,
						   XtPointer client_data,
					      XtPointer call_data)
{
	XtPopdown(topicShell_m);
	XtSetSensitive(topicButton_m, True);

	return;
}

void ShowAboutFunction(Widget w,
								XtPointer client_data,
						      XtPointer call_data)
{
	Widget topLevel = (Widget) client_data;
	Position x, y;

	XtTranslateCoords(topLevel, (Position) 0, (Position) 0, &x, &y);
	XtVaSetValues(aboutShell_m, XtNx, x, XtNy, y, NULL);

	return;
}

void OKAboutFunction(Widget w,
							XtPointer client_data,
							XtPointer call_data)
{
	XtPopdown(aboutShell_m);
	XtSetSensitive(aboutButton_m, True);

	return;
}

/*
 * ToolBar Button functions
 */
void ResetButtonFunction(Widget w,
									XtPointer client_data,
								   XtPointer call_data)
{
	int i;

	Zoom_m = 1.0;
	Move_m[X] = 0.0;
	Move_m[Y] = 0.0;
	Rotation_m[0][X] = 1;
	Rotation_m[1][X] = 0;
	Rotation_m[2][X] = 0;
	Rotation_m[0][Y] = 0;
	Rotation_m[1][Y] = 1;
	Rotation_m[2][Y] = 0;
	Rotation_m[0][Z] = 0;
	Rotation_m[1][Z] = 0;
	Rotation_m[2][Z] = 1;
	GetSurfaceOrient(Orient_m, Rotation_m, RefOrient_m);

	AtomRadius_m = ATOM_RADIUS_0;
	AtomDisplayRadius_m = Scale_m * AtomRadius_m + 0.5;
	SelectAtom_m = -1;
	NeighAtom_m = -1;
	AtomDrawType_m = Points;
	StereoAngle_m = STEREO_INC*DEG_TO_RAD;
	XtVaSetValues(atTypeToolButton_m, XtNlabel, "Circles", NULL);
	XtVaSetValues(atNumButton_m, XtNleftMargin, 4, XtNleftBitmap, None, NULL);
	AtomCenSize_m = 0.0;
	AtomCenPos_m[0] = 0.0;
	AtomCenPos_m[1] = 0.0;
	HideAtoms_m = FALSE;
	XtVaSetValues(hideAtomsButton_m, XtNleftMargin, 4, XtNleftBitmap, None, NULL);
	UnHideAtomsButtonFunction(NULL, NULL, NULL);
	Clip_m = FALSE;
	XtVaSetValues(clipAtomsButton_m, XtNleftMargin, 4, XtNleftBitmap, None, NULL);

	REFRESH
	return;
}

void FirstStepButtonFunction(Widget w,
									  XtPointer client_data,
								     XtPointer call_data)
{
	if (InputFile_m == NULL)
		return;
	CurLocation_m = FileMarkers_m.Head;
	rewind(InputFile_m);
	ReadNextStep(InputFile_m, InputFileName_m, a, &Step_m, 
        			 CenterGeom_m, TypeList_m);
	REFRESH

	return;
}

void BackStepButtonFunction(Widget w,
									 XtPointer client_data,
								    XtPointer call_data)
{
	if (InputFile_m == NULL)
		return;
	if (CurLocation_m->Prev != NULL) 
		{
		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);
		}
	REFRESH

	return;
}

void NextStepButtonFunction(Widget w,
									XtPointer client_data,
								   XtPointer call_data)
{
	int filepos;

	if (InputFile_m == NULL)
		return;
	if (CurLocation_m->Next != NULL) 
		{
		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 
		{
		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 will be junk so get rid of it. */
				RemLastNodeFromList(&FileMarkers_m);
				CloseList(&FileMarkers_m);
				CurLocation_m = FileMarkers_m.Head;
				rewind(InputFile_m);
				ReadNextStep(InputFile_m, InputFileName_m, a, &Step_m, 
        						 CenterGeom_m, TypeList_m);
				} /* End if eof. */
			} /* End if added file mark okay. */
		} /* End if file mark list is not closed. */
	REFRESH

	return;
}

void LastStepButtonFunction(Widget w,
								XtPointer client_data,
							   XtPointer call_data)
{
	int filepos;

	if (InputFile_m == NULL)
		return;
	if (FileMarkers_m.Closed == TRUE) 
		{
		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);
		}
	else
		{
		while (FileMarkers_m.Closed == FALSE) 
			{
			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 will 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 while file mark list is not closed. */
		} /* End if file mark list is not closed. */
	REFRESH

	return;
}

/*
Rotate Left
*/
void RLtButtonFunction(Widget w,
							  XtPointer client_data,
							  XtPointer call_data)
{
	double DeltaRotation[NDIR][NDIR] =
		{1,0,0, 0,1,0, 0,0,1};
	DeltaRotation[X][X] = cos(RotationIncrement_m);
	DeltaRotation[X][Z] = -sin(RotationIncrement_m);
	DeltaRotation[Z][X] = sin(RotationIncrement_m);
	DeltaRotation[Z][Z] = cos(RotationIncrement_m);

	RotateMatrix(Rotation_m, DeltaRotation);
	GetSurfaceOrient(Orient_m, Rotation_m, RefOrient_m);
	REFRESH
	return;
}

/*
Rotate Right
*/
void RRtButtonFunction(Widget w,
							  XtPointer client_data,
						     XtPointer call_data)
{
	double DeltaRotation[NDIR][NDIR] =
		{1,0,0, 0,1,0, 0,0,1};
	DeltaRotation[X][X] = cos(RotationIncrement_m);
	DeltaRotation[X][Z] = sin(RotationIncrement_m);
	DeltaRotation[Z][X] = -sin(RotationIncrement_m);
	DeltaRotation[Z][Z] = cos(RotationIncrement_m);

	RotateMatrix(Rotation_m, DeltaRotation);
	GetSurfaceOrient(Orient_m, Rotation_m, RefOrient_m);
	REFRESH
	return;
}

/*
Rotate Up
*/
void RUpButtonFunction(Widget w,
							  XtPointer client_data,
							  XtPointer call_data)
{
	double DeltaRotation[NDIR][NDIR] =
		{1,0,0, 0,1,0, 0,0,1};
	DeltaRotation[Y][Y] = cos(RotationIncrement_m);
	DeltaRotation[Y][Z] = sin(RotationIncrement_m);
	DeltaRotation[Z][Y] = -sin(RotationIncrement_m);
	DeltaRotation[Z][Z] = cos(RotationIncrement_m);

	RotateMatrix(Rotation_m, DeltaRotation);
	GetSurfaceOrient(Orient_m, Rotation_m, RefOrient_m);
	REFRESH
	return;
}

/*
Rotate Down
*/
void RDnButtonFunction(Widget w,
							  XtPointer client_data,
							  XtPointer call_data)
{
	double DeltaRotation[NDIR][NDIR] =
		{1,0,0, 0,1,0, 0,0,1};
	DeltaRotation[Y][Y] = cos(RotationIncrement_m);
	DeltaRotation[Y][Z] = -sin(RotationIncrement_m);
	DeltaRotation[Z][Y] = sin(RotationIncrement_m);
	DeltaRotation[Z][Z] = cos(RotationIncrement_m);

	RotateMatrix(Rotation_m, DeltaRotation);
	GetSurfaceOrient(Orient_m, Rotation_m, RefOrient_m);
	REFRESH
	return;
}

/*
Move Left
*/
void MvLtButtonFunction(Widget w,
								XtPointer client_data,
							   XtPointer call_data)
{
	Move_m[X] -= MoveIncrement_m;
	REFRESH
	return;
}

/*
Move Right
*/
void MvRtButtonFunction(Widget w,
								XtPointer client_data,
							   XtPointer call_data)
{
	Move_m[X] += MoveIncrement_m;
	REFRESH
	return;
}

/*
Move Up
*/
void MvUpButtonFunction(Widget w, 
								XtPointer client_data,
							   XtPointer call_data)
{
	Move_m[Y] -= MoveIncrement_m;
	REFRESH
	return;
}

/*
Move Down
*/
void MvDnButtonFunction(Widget w, 
								XtPointer client_data,
							   XtPointer call_data)
{
	Move_m[Y] += MoveIncrement_m;
	REFRESH
	return;
}

/*
Zoom In
*/
void ZInButtonFunction(Widget w,
							  XtPointer client_data,
							  XtPointer call_data)
{
	Zoom_m += ZoomIncrement_m;
	REFRESH
	return;
}

/*
Zoom Out
*/
void ZOutButtonFunction(Widget w,
								XtPointer client_data,
							   XtPointer call_data)
{
	Zoom_m -= ZoomIncrement_m;
	if (Zoom_m < ZoomIncrement_m)
		Zoom_m = ZoomIncrement_m;
	REFRESH
	return;
}

/*
Atom Plus
*/
void AtPlusButtonFunction(Widget w,
								  XtPointer client_data,
								  XtPointer call_data)
{
	int OldAtomDisplayWidth;

	OldAtomDisplayWidth = AtomDisplayRadius_m;
	AtomRadius_m += AtomIncrement_m;
	AtomDisplayRadius_m = Scale_m * AtomRadius_m + 0.5;

	/*  Refresh atoms if radius has changed  */
	if ((AtomDrawType_m != Points) && (AtomDrawType_m != NumPts) 
		&& (AtomDisplayRadius_m != OldAtomDisplayWidth))
		{
		REFRESH
		}

	/*  Just refresh text info  */
	else
		{
		}
	return;
}

/*
Atom Minus
*/
void AtMinusButtonFunction(Widget w,
									XtPointer client_data,
								   XtPointer call_data)
{
	int OldAtomDisplayWidth;

	OldAtomDisplayWidth = AtomDisplayRadius_m;
	AtomRadius_m -= AtomIncrement_m;
	if (AtomRadius_m < 0.2e-8)
		AtomRadius_m = 0.2e-8;
	AtomDisplayRadius_m = Scale_m * AtomRadius_m + 0.5;

	/*  Refresh atoms if radius has changed  */
	if ((AtomDrawType_m != Points) && (AtomDrawType_m != NumPts)
		&& (AtomDisplayRadius_m != OldAtomDisplayWidth))
		{
		REFRESH
		}

	/*  Just refresh text info  */
	else
		{
		}
	return;
}

/*
Change Atom Draw Style
*/
void AtTypeButtonFunction(Widget w,