remarks file:  xtallib/cross-rf-asu.lib
remarks definition of an asymmetric unit for cross-rotation functions
remarks Library for X-PLOR(online)
remarks
remarks Authors: Jian-Sheng Jiang and Axel T. Brunger
!
! Requirements:
! The "$laue_class" was previously defined according to the space group or 
! corresponding Patterson space group as defined by the 
! xtallib/spacegroup.lib library. 
! 
! Reference:
! Rao, S.N., Jih, J.-H. and Hartsuck, J.A., Acta Cryst. (1980). A36, 878-884.
!  "Rotation-Function Space Groups".
!

set echo=false end
set message=off end

{ defaults }
evaluate ($tmmin=0.0)
evaluate ($t2min=0.0)
evaluate ($tpmin=0.0)
evaluate ($tmmax=360.0)
evaluate ($t2max=90.0)
evaluate ($tpmax=720.0)

{ according to the Laue class }
if ($laue_class = "-1") then
  evaluate ($tmmax=360.0)
  evaluate ($t2max=180.0)
  evaluate ($tpmax=720.0)
elseif ($laue_class = "2/m") then
!  { default the "b" axis unique } 
  evaluate ($tmmax=360.0)
  evaluate ($t2max=90.0)
  evaluate ($tpmax=720.0)
!  if ($unique = "c" ) then
!    evaluate ($tmmax=180.0)
!    evaluate ($t2max=180.0)
!    evaluate ($tpmax=720.0)
!  end if
elseif ($laue_class = "mmm") then
  evaluate ($tmmax=180.0)
  evaluate ($t2max=90.0)
  evaluate ($tpmax=720.0)
elseif ($laue_class = "4/m") then
  evaluate ($tmmax=90.0)
  evaluate ($t2max=180.0)
  evaluate ($tpmax=720.0)
elseif ($laue_class = "4/mmm") then
  evaluate ($tmmax=90.0)
  evaluate ($t2max=90.0)
  evaluate ($tpmax=720.0)
elseif ($laue_class = "-3") then
  evaluate ($tmmax=120.0)
  evaluate ($t2max=180.0)
  evaluate ($tpmax=720.0)
elseif ($laue_class = "-3m") then
  evaluate ($tmmax=120.0)
  evaluate ($t2max=90.0)
  evaluate ($tpmax=720.0)
elseif ($laue_class = "6/m") then
  evaluate ($tmmax=60.0)
  evaluate ($t2max=180.0)
  evaluate ($tpmax=720.0)
elseif ($laue_class = "6/mmm") then
  evaluate ($tmmax=60.0)
  evaluate ($t2max=90.0)
  evaluate ($tpmax=720.0)
end if


display         asymmetric unit| tmmin=$tmmin[F5.1], tmmax=$tmmax[F5.1]
display         for rotation   | t2min=$t2min[F5.1], t2max=$t2max[F5.1]
display         function       | tpmin=$tpmin[F5.1], tpmax=$tpmax[F5.1]

set echo=on end
set message=on end