[Cctbx-cvs] mmtbx/mmtbx/ncs restraints.py,1.6,1.7 tst_restraints.py,1.4,1.5

[Ralf W. Grosse-K. <rw...@cc...>]

Update of /net/cci/cvs/mmtbx/mmtbx/ncs
In directory boa.lbl.gov:/tmp_mnt/net/legless/scratch1/rwgk/dist/mmtbx/mmtbx/ncs

Modified Files:
	restraints.py tst_restraints.py 
Log Message:
group.show_operators()

Index: restraints.py
===================================================================
RCS file: /net/cci/cvs/mmtbx/mmtbx/ncs/restraints.py,v
retrieving revision 1.6
retrieving revision 1.7
diff -C2 -d -r1.6 -r1.7
*** restraints.py	29 Jul 2005 12:22:58 -0000	1.6
--- restraints.py	30 Jul 2005 02:39:49 -0000	1.7
***************
*** 492,495 ****
--- 492,501 ----
      return result
  
+   def show_operators(self, sites_cart, out=None, prefix=""):
+     for i_group,pair_lists in enumerate(self.members):
+       print >> out, prefix + "NCS restraint group %d:" % (i_group+1)
+       ncs_operators = pair_lists.operators(sites_cart=sites_cart)
+       ncs_operators.show(sites_cart=sites_cart, out=out, prefix="  ")
+ 
    def show_energies_sites(self,
           sites_cart,

Index: tst_restraints.py
===================================================================
RCS file: /net/cci/cvs/mmtbx/mmtbx/ncs/tst_restraints.py,v
retrieving revision 1.4
retrieving revision 1.5
diff -C2 -d -r1.4 -r1.5
*** tst_restraints.py	28 Jul 2005 21:17:31 -0000	1.4
--- tst_restraints.py	30 Jul 2005 02:39:49 -0000	1.5
***************
*** 271,274 ****
--- 271,280 ----
    for rms in energies_sites.rms_with_respect_to_averages:
      assert eps_eq(rms, energies_sites_no_gradients.rms_with_respect_to_average)
+   out = StringIO()
+   groups.show_operators(sites_cart=None, out=out)
+   assert len(out.getvalue().splitlines()) == 98
+   out = StringIO()
+   groups.show_energies_sites(sites_cart=None, out=out)
+   assert len(out.getvalue().splitlines()) == 188
  
  def exercise(args):