********> bugfix.23
Author:   Bill Ross
Date:     3/19/98

Programs: 	xleap

Severity: 	major inconvenience

Description:	bugfix.9 introduced a major slowdown in xleap by always
		checking the graphics update queue when various operations
		are performed. This fix turns off graphical updates during
		times when mostly non-graphical operations are being
		performed, restoring the speed to that of tleap for such
		operations as solvation and saving parm files.

Fix: 		Apply the following changes to: basics.c, displayer.c, 
		xaUnitEditor.c, commands.c

-----------------------------------------------------------------------------
*** OLD basics.c
--- NEW basics.c
***************
*** 61,67
  
  BOOL	GbInterrupt = FALSE;
  
! 
  
  /*
   * ------------------------------------------------------------------

--- 61,67 -----
  
  BOOL	GbInterrupt = FALSE;
  
! int	GiUnitEditors = 0;
  
  /*
   * ------------------------------------------------------------------
-----------------------------------------------------------------------------

*** OLD displayer.c
--- NEW displayer.c
***************
*** 64,69
  
  extern BOOL	GbGraphicalEnvironment;
  
  
  /*
   *----------------------------------------------------------

--- 64,70 -----
  
  extern BOOL	GbGraphicalEnvironment;
  
+ extern int	GiUnitEditors;
  
  /*
   *----------------------------------------------------------
***************
*** 264,269
  	RETURNV;
      if ( GbGraphicalEnvironment == FALSE ) 
  	RETURNV;
  
  		/* If we are not supposed to update DISPLAYERs but instead */
  		/* accumulate the updates then accumulate and continue */

--- 263,270 -----
  	RETURNV;
      if ( GbGraphicalEnvironment == FALSE ) 
  	RETURNV;
+     if ( GiUnitEditors == 0 )
+ 	RETURNV;
  
  		/* If we are not supposed to update DISPLAYERs but instead */
  		/* accumulate the updates then accumulate and continue */
***************
*** 341,344
  	SdDisplayerAccumulateList = NULL;
      }
  END
  }

--- 342,373 -----
  	SdDisplayerAccumulateList = NULL;
      }
  END
+ }
+ 
+ /*
+  *  TurnOffDisplayerUpdates(), TurnOnDisplayerUpdates()
+  *
+  *	Recommended that these only be called from commands.c
+  *	and that ContainerDisplayerUpdate( <unit> ) be called
+  *	right after. 
+  */
+ static int	iOffed = 0;
+ 
+ void	TurnOffDisplayerUpdates()
+ {
+ 	if ( GbGraphicalEnvironment ) {
+ 		if ( iOffed )
+ 			DFATAL(( 
+ 			    " programmer error - TurnOffDisplayerUpdates\n" ));
+ 		iOffed++;
+ 		GbGraphicalEnvironment = FALSE;
+ 	}
+ }
+ 
+ void	TurnOnDisplayerUpdates()
+ {
+ 	if ( iOffed ) {
+ 		iOffed = 0;
+ 		GbGraphicalEnvironment = TRUE;
+ 	}
  }
-----------------------------------------------------------------------------

*** OLD xaUnitEditor.c
--- NEW xaUnitEditor.c
***************
*** 81,86
  #include	"xaUnitEditor.h"
  
  
  /*
   *----------------------------------------------------------------------
   *

--- 81,88 -----
  #include	"xaUnitEditor.h"
  
  
+ extern int		GiUnitEditors;
+ 
  /*
   *----------------------------------------------------------------------
   *
***************
*** 1841,1846
  
      zXAUERemoveUnitEditor(wCur);
      XtDestroyWidget( wTop );
  END
  }
  

--- 1843,1849 -----
  
      zXAUERemoveUnitEditor(wCur);
      XtDestroyWidget( wTop );
+     GiUnitEditors--;
  END
  }
  
***************
*** 1971,1976
  	       XAUEDisplayerUpdate,
  	       wShell );
    
    END;
  }
  

--- 1974,1980 -----
  	       XAUEDisplayerUpdate,
  	       wShell );
    
+   GiUnitEditors++;
    END;
  }
  
-----------------------------------------------------------------------------
*** OLD commands.c
--- NEW commands.c
***************
*** 1743,1749
  	/* Orient the principle axis of the solute along the */
  	/* coordinate axis, setting a box  */
  
!     DisplayerAccumulateUpdates();
      ToolCenterUnitByRadii( uSolute, FALSE );
      DisplayerReleaseUpdates();
  

--- 1743,1750 -----
  	/* Orient the principle axis of the solute along the */
  	/* coordinate axis, setting a box  */
  
!     TurnOffDisplayerUpdates();
! 
      ToolCenterUnitByRadii( uSolute, FALSE );
  
      TurnOnDisplayerUpdates();
***************
*** 1745,1751
  
      DisplayerAccumulateUpdates();
      ToolCenterUnitByRadii( uSolute, FALSE );
-     DisplayerReleaseUpdates();
  
  		/* Solvate the solute */
  

--- 1746,1751 -----
      TurnOffDisplayerUpdates();
  
      ToolCenterUnitByRadii( uSolute, FALSE );
  
      TurnOnDisplayerUpdates();
      ContainerDisplayerUpdate( uSolute );
***************
*** 1747,1752
      ToolCenterUnitByRadii( uSolute, FALSE );
      DisplayerReleaseUpdates();
  
  		/* Solvate the solute */
  
      iInitialSize = iContainerNumberOfChildren( uSolute );

--- 1747,1755 -----
  
      ToolCenterUnitByRadii( uSolute, FALSE );
  
+     TurnOnDisplayerUpdates();
+     ContainerDisplayerUpdate( uSolute );
+ 
  		/* Solvate the solute */
  
  
***************
*** 1749,1754
  
  		/* Solvate the solute */
  
      iInitialSize = iContainerNumberOfChildren( uSolute );
      DisplayerAccumulateUpdates();
      ToolSolvate( uSolute, uSolvent, 

--- 1752,1760 -----
  
  		/* Solvate the solute */
  
+ 
+     TurnOffDisplayerUpdates();
+ 
      iInitialSize = iContainerNumberOfChildren( uSolute );
      ToolSolvate( uSolute, uSolvent, 
  		daBuffer[0], daBuffer[1], daBuffer[2], 
***************
*** 1750,1756
  		/* Solvate the solute */
  
      iInitialSize = iContainerNumberOfChildren( uSolute );
-     DisplayerAccumulateUpdates();
      ToolSolvate( uSolute, uSolvent, 
  		daBuffer[0], daBuffer[1], daBuffer[2], 
  		dCloseness, TRUE );

--- 1756,1761 -----
      TurnOffDisplayerUpdates();
  
      iInitialSize = iContainerNumberOfChildren( uSolute );
      ToolSolvate( uSolute, uSolvent, 
  		daBuffer[0], daBuffer[1], daBuffer[2], 
  		dCloseness, TRUE );
***************
*** 1754,1761
      ToolSolvate( uSolute, uSolvent, 
  		daBuffer[0], daBuffer[1], daBuffer[2], 
  		dCloseness, TRUE );
-     DisplayerReleaseUpdates();
- 
      /*
       *  Get rid of solvent copy
       */

--- 1759,1764 -----
      ToolSolvate( uSolute, uSolvent, 
  		daBuffer[0], daBuffer[1], daBuffer[2], 
  		dCloseness, TRUE );
      /*
       *  Get rid of solvent copy
       */
***************
*** 1762,1767
      ContainerDestroy( &uSolvent );
      iFinalSize = iContainerNumberOfChildren( uSolute );
  
      VP0(( "  Added %d residues.\n", iFinalSize - iInitialSize ));
  
      RETURN(NULL);

--- 1765,1774 -----
      ContainerDestroy( &uSolvent );
      iFinalSize = iContainerNumberOfChildren( uSolute );
  
+     TurnOnDisplayerUpdates();
+     ContainerDisplayerUpdate(uSolute);
+ 
+ 
      VP0(( "  Added %d residues.\n", iFinalSize - iInitialSize ));
  
      RETURN(NULL);
***************
*** 1863,1869
  	/* Orient the principle axis of the solute along the */
  	/* coordinate axis, setting a box  */
  
!     DisplayerAccumulateUpdates();
      ToolCenterUnitByRadii( uSolute, FALSE );
      DisplayerReleaseUpdates();
  

--- 1870,1876 -----
  	/* Orient the principle axis of the solute along the */
  	/* coordinate axis, setting a box  */
  
!     TurnOffDisplayerUpdates();
      ToolCenterUnitByRadii( uSolute, FALSE );
      TurnOnDisplayerUpdates();
  
***************
*** 1865,1871
  
      DisplayerAccumulateUpdates();
      ToolCenterUnitByRadii( uSolute, FALSE );
!     DisplayerReleaseUpdates();
  
      iInitialSize = iContainerNumberOfChildren( uSolute );
      DisplayerAccumulateUpdates();

--- 1872,1878 -----
  
      TurnOffDisplayerUpdates();
      ToolCenterUnitByRadii( uSolute, FALSE );
!     TurnOnDisplayerUpdates();
  
      ContainerDisplayerUpdate(uSolute);
  
***************
*** 1867,1872
      ToolCenterUnitByRadii( uSolute, FALSE );
      DisplayerReleaseUpdates();
  
      iInitialSize = iContainerNumberOfChildren( uSolute );
      DisplayerAccumulateUpdates();
      ToolSolvate( uSolute, uSolvent, 

--- 1874,1882 -----
      ToolCenterUnitByRadii( uSolute, FALSE );
      TurnOnDisplayerUpdates();
  
+     ContainerDisplayerUpdate(uSolute);
+ 
+     TurnOffDisplayerUpdates();
      iInitialSize = iContainerNumberOfChildren( uSolute );
      ToolSolvate( uSolute, uSolvent, 
  		daBuffer[0], daBuffer[1], daBuffer[2], 
***************
*** 1868,1874
      DisplayerReleaseUpdates();
  
      iInitialSize = iContainerNumberOfChildren( uSolute );
-     DisplayerAccumulateUpdates();
      ToolSolvate( uSolute, uSolvent, 
  		daBuffer[0], daBuffer[1], daBuffer[2], 
  		dCloseness, FALSE );

--- 1878,1883 -----
  
      TurnOffDisplayerUpdates();
      iInitialSize = iContainerNumberOfChildren( uSolute );
      ToolSolvate( uSolute, uSolvent, 
  		daBuffer[0], daBuffer[1], daBuffer[2], 
  		dCloseness, FALSE );
***************
*** 1872,1878
      ToolSolvate( uSolute, uSolvent, 
  		daBuffer[0], daBuffer[1], daBuffer[2], 
  		dCloseness, FALSE );
-     DisplayerReleaseUpdates();
  
      /*
       *  Get rid of solvent copy

--- 1881,1886 -----
      ToolSolvate( uSolute, uSolvent, 
  		daBuffer[0], daBuffer[1], daBuffer[2], 
  		dCloseness, FALSE );
  
      /*
       *  Get rid of solvent copy
***************
*** 1880,1885
      ContainerDestroy( &uSolvent );
      iFinalSize = iContainerNumberOfChildren( uSolute );
  
      VP0(( "  Added %d residues.\n", iFinalSize - iInitialSize ));
      
      RETURN(NULL);

--- 1888,1896 -----
      ContainerDestroy( &uSolvent );
      iFinalSize = iContainerNumberOfChildren( uSolute );
  
+     TurnOnDisplayerUpdates();
+     ContainerDisplayerUpdate(uSolute);
+ 
      VP0(( "  Added %d residues.\n", iFinalSize - iInitialSize ));
      
      RETURN(NULL);
***************
*** 1949,1955
  	/* Orient the principle axis of the solute along the */
  	/* coordinate axis, setting a box */
  
!     DisplayerAccumulateUpdates();
      ToolCenterUnitByRadii( uSolute, FALSE );
      DisplayerReleaseUpdates();
  

--- 1960,1966 -----
  	/* Orient the principle axis of the solute along the */
  	/* coordinate axis, setting a box */
  
!     TurnOffDisplayerUpdates();
      ToolCenterUnitByRadii( uSolute, FALSE );
      TurnOnDisplayerUpdates();
      ContainerDisplayerUpdate(uSolute);
***************
*** 1951,1957
  
      DisplayerAccumulateUpdates();
      ToolCenterUnitByRadii( uSolute, FALSE );
!     DisplayerReleaseUpdates();
  
      dThickness = dODouble(oAssocObject(aaArgs[2]));
      iInitialSize = iContainerNumberOfChildren( uSolute );

--- 1962,1969 -----
  
      TurnOffDisplayerUpdates();
      ToolCenterUnitByRadii( uSolute, FALSE );
!     TurnOnDisplayerUpdates();
!     ContainerDisplayerUpdate(uSolute);
  
      dThickness = dODouble(oAssocObject(aaArgs[2]));
  
***************
*** 1954,1960
      DisplayerReleaseUpdates();
  
      dThickness = dODouble(oAssocObject(aaArgs[2]));
-     iInitialSize = iContainerNumberOfChildren( uSolute );
  
      DisplayerAccumulateUpdates();
      zToolSolvateAndShell( uSolute, uSolvent, 

--- 1966,1971 -----
      ContainerDisplayerUpdate(uSolute);
  
      dThickness = dODouble(oAssocObject(aaArgs[2]));
  
      TurnOffDisplayerUpdates();
      iInitialSize = iContainerNumberOfChildren( uSolute );
***************
*** 1956,1962
      dThickness = dODouble(oAssocObject(aaArgs[2]));
      iInitialSize = iContainerNumberOfChildren( uSolute );
  
!     DisplayerAccumulateUpdates();
      zToolSolvateAndShell( uSolute, uSolvent, 
  		dThickness, dThickness, dThickness,
  		dCloseness, dThickness, TRUE, TRUE );

--- 1967,1974 -----
  
      dThickness = dODouble(oAssocObject(aaArgs[2]));
  
!     TurnOffDisplayerUpdates();
!     iInitialSize = iContainerNumberOfChildren( uSolute );
      zToolSolvateAndShell( uSolute, uSolvent, 
  		dThickness, dThickness, dThickness,
  		dCloseness, dThickness, TRUE, TRUE );
***************
*** 1960,1966
      zToolSolvateAndShell( uSolute, uSolvent, 
  		dThickness, dThickness, dThickness,
  		dCloseness, dThickness, TRUE, TRUE );
-     DisplayerReleaseUpdates();
  
      /*
       *  Get rid of solvent copy

--- 1972,1977 -----
      zToolSolvateAndShell( uSolute, uSolvent, 
  		dThickness, dThickness, dThickness,
  		dCloseness, dThickness, TRUE, TRUE );
  
      /*
       *  Get rid of solvent copy
***************
*** 1968,1973
      ContainerDestroy( &uSolvent );
      iFinalSize = iContainerNumberOfChildren( uSolute );
  
      VP0(( " Added %d residues.\n", iFinalSize - iInitialSize ));
  
      

--- 1979,1987 -----
      ContainerDestroy( &uSolvent );
      iFinalSize = iContainerNumberOfChildren( uSolute );
  
+     TurnOnDisplayerUpdates();
+     ContainerDisplayerUpdate(uSolute);
+ 
      VP0(( " Added %d residues.\n", iFinalSize - iInitialSize ));
  
      
***************
*** 2526,2532
          RETURN(NULL);
      }
      
!     DisplayerAccumulateUpdates();
      UnitSaveAmberParmFile( uUnit, fOut, fCrd, GplAllParameters, FALSE );
      DisplayerReleaseUpdates();
      

--- 2540,2546 -----
          RETURN(NULL);
      }
      
!     TurnOffDisplayerUpdates();
      UnitSaveAmberParmFile( uUnit, fOut, fCrd, GplAllParameters, FALSE );
      TurnOnDisplayerUpdates();
      
***************
*** 2528,2534
      
      DisplayerAccumulateUpdates();
      UnitSaveAmberParmFile( uUnit, fOut, fCrd, GplAllParameters, FALSE );
!     DisplayerReleaseUpdates();
      
      fclose( fOut );
      fclose( fCrd );

--- 2542,2548 -----
      
      TurnOffDisplayerUpdates();
      UnitSaveAmberParmFile( uUnit, fOut, fCrd, GplAllParameters, FALSE );
!     TurnOnDisplayerUpdates();
      
      fclose( fOut );
      fclose( fCrd );
***************
*** 2580,2586
  			sCmd, sOString(oAssocObject(aaArgs[1]))));
          RETURN(NULL);
      }
!     DisplayerAccumulateUpdates();
      UnitSaveAmberParmFile( uUnit, fOut, fCrd, GplAllParameters, TRUE );
      DisplayerReleaseUpdates();
  

--- 2594,2601 -----
  			sCmd, sOString(oAssocObject(aaArgs[1]))));
          RETURN(NULL);
      }
!     
!     TurnOffDisplayerUpdates();
      UnitSaveAmberParmFile( uUnit, fOut, fCrd, GplAllParameters, TRUE );
      TurnOnDisplayerUpdates();
      
***************
*** 2582,2589
      }
      DisplayerAccumulateUpdates();
      UnitSaveAmberParmFile( uUnit, fOut, fCrd, GplAllParameters, TRUE );
!     DisplayerReleaseUpdates();
! 
      fclose( fOut );
      fclose( fCrd );
      RETURN(NULL);

--- 2597,2604 -----
      
      TurnOffDisplayerUpdates();
      UnitSaveAmberParmFile( uUnit, fOut, fCrd, GplAllParameters, TRUE );
!     TurnOnDisplayerUpdates();
!     
      fclose( fOut );
      fclose( fCrd );
      RETURN(NULL);
***************
*** 2616,2622
          RETURN(NULL);
      }
      
!     DisplayerAccumulateUpdates();
      UnitIOSaveAmberPrep( uUnit, fOut );
      DisplayerReleaseUpdates();
      

--- 2631,2637 -----
          RETURN(NULL);
      }
      
!     TurnOffDisplayerUpdates();
      UnitIOSaveAmberPrep( uUnit, fOut );
      TurnOnDisplayerUpdates();
      
***************
*** 2618,2624
      
      DisplayerAccumulateUpdates();
      UnitIOSaveAmberPrep( uUnit, fOut );
!     DisplayerReleaseUpdates();
      
      fclose( fOut );
      VP0(( "  -- Remember to delete unwanted IMPROPER terms!\n" ));

--- 2633,2639 -----
      
      TurnOffDisplayerUpdates();
      UnitIOSaveAmberPrep( uUnit, fOut );
!     TurnOnDisplayerUpdates();
      
      fclose( fOut );
      VP0(( "  -- Remember to delete unwanted IMPROPER terms!\n" ));
***************
*** 3582,3588
  	RETURN(NULL);
      }
  
-     DisplayerAccumulateUpdates();
      
      dRadius = dODouble(oAssocObject(aaArgs[3]));
      if ( dRadius < 0.0 ) {

--- 3597,3602 -----
  	RETURN(NULL);
      }
  
      
      dRadius = dODouble(oAssocObject(aaArgs[3]));
      if ( dRadius < 0.0 ) {
***************
*** 3590,3595
  	RETURN(NULL);
      }
  
      iInitialSize = iContainerNumberOfChildren( uSolute );
      ToolSolventSphere( uSolute, uSolvent, dCloseness, &vPos, dRadius );
      iFinalSize = iContainerNumberOfChildren( uSolute );

--- 3604,3610 -----
  	RETURN(NULL);
      }
  
+     TurnOffDisplayerUpdates();
      iInitialSize = iContainerNumberOfChildren( uSolute );
      ToolSolventSphere( uSolute, uSolvent, dCloseness, &vPos, dRadius );
      iFinalSize = iContainerNumberOfChildren( uSolute );
***************
*** 3601,3607
      UnitSetSolventCap( uSolute, dVX(&vPos), dVY(&vPos), dVZ(&vPos), dRadius );
      UnitSetUseSolventCap( uSolute, TRUE );
  
!     DisplayerReleaseUpdates();
      
      RETURN(NULL);
  }

--- 3616,3623 -----
      UnitSetSolventCap( uSolute, dVX(&vPos), dVY(&vPos), dVZ(&vPos), dRadius );
      UnitSetUseSolventCap( uSolute, TRUE );
  
!     TurnOnDisplayerUpdates();
!     ContainerDisplayerUpdate( uSolute );
      
      RETURN(NULL);
  }
***************
*** 4010,4016
  	dDist = dODouble(oAssocObject(aaArgs[1]));
      }
  
!     DisplayerAccumulateUpdates();
  
      iBonds = iToolDistanceSearch( oAssocObject(aaArgs[0]), dDist,
      					TRUE, DISTANCE_SEARCH_CREATE_BONDS );

--- 4026,4032 -----
  	dDist = dODouble(oAssocObject(aaArgs[1]));
      }
  
!     TurnOffDisplayerUpdates();
  
      iBonds = iToolDistanceSearch( oAssocObject(aaArgs[0]), dDist,
      					TRUE, DISTANCE_SEARCH_CREATE_BONDS );
***************
*** 4017,4023
  
      VP0(( "Created %d bonds.\n", iBonds ));
      
!     DisplayerReleaseUpdates();
      
      RETURN(NULL);
  }

--- 4033,4040 -----
  
      VP0(( "Created %d bonds.\n", iBonds ));
      
!     TurnOnDisplayerUpdates();
!     ContainerDisplayerUpdate( oAssocObject(aaArgs[0]) );
      
      RETURN(NULL);
  }
***************
*** 4706,4712
      } else
  	VP0((" (no solvent present)\n" ));
  
!     DisplayerAccumulateUpdates();
      
      OctTreeInitCharges( octTreeSolute, AT_OCTREE, iDielectricFlag, 
  					dIonSize1, &vMinPot, &vMaxPot );

--- 4723,4729 -----
      } else
  	VP0((" (no solvent present)\n" ));
  
!     TurnOffDisplayerUpdates();
      
      OctTreeInitCharges( octTreeSolute, AT_OCTREE, iDielectricFlag, 
  					dIonSize1, &vMinPot, &vMaxPot );
***************
*** 4792,4798
      OctTreeDestroy( &octTreeSolute );
      if ( vaSolvent )
  	VarArrayDestroy( &vaSolvent );
!     DisplayerReleaseUpdates();
      RETURN(NULL);
  
  CANCEL:

--- 4809,4816 -----
      OctTreeDestroy( &octTreeSolute );
      if ( vaSolvent )
  	VarArrayDestroy( &vaSolvent );
!     TurnOnDisplayerUpdates();
!     ContainerDisplayerUpdate( uUnit );
      RETURN(NULL);
  
  CANCEL:
***************
*** 5031,5037
      ToolInitSolventPotential( uUnit, vaSolvent, &iMinPotRes, &iMaxPotRes );
  
      VP0(( "placing ions..\n" ));
!     DisplayerAccumulateUpdates();
      while ( iIon1 || iIon2 ) {
  	if ( bBasicsInterrupt() ) goto CANCEL;
  	if ( iIon1 ) {

--- 5049,5055 -----
      ToolInitSolventPotential( uUnit, vaSolvent, &iMinPotRes, &iMaxPotRes );
  
      VP0(( "placing ions..\n" ));
!     TurnOffDisplayerUpdates();
      while ( iIon1 || iIon2 ) {
  	if ( bBasicsInterrupt() ) goto CANCEL;
  	if ( iIon1 ) {
***************
*** 5063,5069
      }
      VP0(( "\nDone adding ions.\n" ));
      VarArrayDestroy( &vaSolvent );
!     DisplayerReleaseUpdates();
      RETURN(NULL);
  
  CANCEL:

--- 5081,5088 -----
      }
      VP0(( "\nDone adding ions.\n" ));
      VarArrayDestroy( &vaSolvent );
!     TurnOnDisplayerUpdates();
!     ContainerDisplayerUpdate( uUnit );
      RETURN(NULL);
  
  CANCEL:
-----------------------------------------------------------------------------