! module file: scalecool
!
! CNS MODULE
! **********
!
! Authors: Gregory L. Warren and Axel T. Brunger
!
! copyright Yale University
!
! version 2/25/98
!
! Function:
!    This module sets the NMR restraint data weighting 
!    for dani and sani in the first or second slow-cooling 
!    dynamics sections
!
! Requirements:
!    See the top level script file for the 
!    defined parameter(s). 
! 
!

module { scalecool }
( 
   &kdani=kdani;             {INPUT: dani force and class numbers}
   &ksani=ksani;             {INPUT: sani force and class numbers}
   &nmr=nmr;                 {INPUT: nmr restraints parameters}
)

checkversion 1.3

set message ? end
evaluate ($message_old=$result)
set echo ? end
evaluate ($echo_old=$result)
if ( $log_level = verbose ) then
  set echo=on message=normal end
else
  set echo=off message=off end
end if

   evaluate ($count = 1)
   while (&exist%nmr.dani.file.$count=true) loop nloop
      evaluate ($clsname = "D"+encode($count))
      if (&nmr.dani.file.$count # "" ) then
         evaluate (&kdani.$count  = min(&kdani.finish,
                                        &kdani.$count*&kdani.fac.$count))
         dani
            class $$clsname force &kdani.$count
         end
      end if
      evaluate ($count = $count + 1)
   end loop nloop

   evaluate ($count = 1)
   while (&exist%nmr.sani.file.$count=true) loop nloop
      evaluate ($clsname = "S"+encode($count))
      if (&nmr.sani.file.$count # "" ) then
         evaluate (&ksani.$count  = min(&ksani.finish,
                                        &ksani.$count*&ksani.fac.$count))
         sani
            class $$clsname force &ksani.$count
         end
      end if
      evaluate ($count = $count + 1)
   end loop nloop

set message=$message_old echo=$echo_old end