! file:  libraries/xtal/cross-rf-asu.lib
! Library of asymmetric units for cross-rotation functions

! Authors: Jian-Sheng Jiang and Axel T. Brunger
! 
! Reference:
! Rao, S.N., Jih, J.-H. and Hartsuck, J.A., Acta Cryst. (1980). A36, 878-884.
!  "Rotation-Function Space Groups".
!

module ( &laue_class;
         &rfparam = $rfparam )

set message ? end
evaluate ($message_old_aslib=$result)
set echo ? end
evaluate ($echo_old_aslib=$result)
set echo=off message=off end

 checkversion 1.2


{ 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]

evaluate (&rfparam.tmmin = $tmmin)
evaluate (&rfparam.t2min = $t2min)
evaluate (&rfparam.tpmin = $tpmin)
evaluate (&rfparam.tmmax = $tmmax)
evaluate (&rfparam.t2max = $t2max)
evaluate (&rfparam.tpmax = $tpmax)

set message=$message_old_aslib echo=$echo_old_aslib end