Added a unit test for PDBize and removed debug output.

modules/io/pymod/__init__.py

@@ -481,7 +481,6 @@ def _PDBize(biounit, asu, seqres=None, min_polymer_size=10,
             a_pos_wrong = a_b
   move_to_origin = None
   if a_pos_wrong:
-    print "IN"
     start = pdb_bu.bounds.min
     move_to_origin = geom.Mat4(1,0,0,(-999 - start[0]),
                                0,1,0,(-999 - start[1]),

modules/io/tests/test_io_mmcif.py

@@ -165,6 +165,21 @@ class TestMMCifInfo(unittest.TestCase):
     self.assertEquals(len(pdb_seqres_ent.GetChainList()[9].GetResidueList()),
                       414)
 
+  def test_mmcifinfo_biounit_pdbize_transformation(self):
+    ent, seqres, info = io.LoadMMCIF("testfiles/mmcif/3hqv.cif.gz",
+                                     seqres=True,
+                                     info=True)
+    pdb_ent, t = info.GetBioUnits()[0].PDBize(ent, transformation=True)
+    self.assertAlmostEquals(pdb_ent.GetCenterOfAtoms()[0], -915.759, 3)
+    self.assertAlmostEquals(pdb_ent.GetCenterOfAtoms()[1], -952.345, 2)
+    self.assertAlmostEquals(pdb_ent.GetCenterOfAtoms()[2], 3221.75, 2)
+    self.assertEquals(geom.Equal(t,
+                                 geom.Mat4(1,0,0,-920.462,
+                                           0,1,0,-966.654,
+                                           0,0,1,1703,
+                                           0,0,0,1),
+                                 epsilon=0.01), True)
+
   def test_mmcifinfo_structdetails(self):
     d = io.MMCifInfoStructDetails()