from __future__ import division
from libtbx.test_utils import approx_equal
from libtbx import easy_pickle
import libtbx.load_env
from cStringIO import StringIO
import os

def exercise () :
  for module in ["reduce", "probe", "phenix_regression"] :
    if (not libtbx.env.has_module(module)) :
      print "%s not available, skipping" % module
      return
  from mmtbx.command_line import validation_summary
  from iotbx import file_reader
  import iotbx.pdb.hierarchy
  regression_pdb = libtbx.env.find_in_repositories(
    relative_path="phenix_regression/pdb/pdb1jxt.ent",
    test=os.path.isfile)
  out = StringIO()
  summary = validation_summary.run(args=[regression_pdb], out=out)
  assert approx_equal(summary.clashscore, 13.597, eps=0.0001)
  ss = easy_pickle.dumps(summary)
  sss = easy_pickle.loads(ss)
  out_1 = StringIO()
  out_2 = StringIO()
  summary.show(out=out_1)
  sss.show(out=out_2)
  assert out_1.getvalue() == out_2.getvalue()
  pdb_in = file_reader.any_file(regression_pdb)
  hierarchy = pdb_in.file_object.hierarchy
  new_hierarchy = iotbx.pdb.hierarchy.root()
  for i in range(5) :
    model = hierarchy.only_model().detached_copy()
    model.id = str(i+1)
    new_hierarchy.append_model(model)
  open("tst_validation_summary.pdb", "w").write(new_hierarchy.as_pdb_string())
  out2 = StringIO()
  summary = validation_summary.run(args=["tst_validation_summary.pdb"],
    out=out2)
  assert (type(summary).__name__ == 'ensemble')
  print "OK"

if (__name__ == "__main__") :
  exercise()