Author: bugman
Date: Thu Mar 3 12:47:46 2011
New Revision: 12774
URL: http://svn.gna.org/viewcvs/relax?rev=12774&view=rev
Log:
Fixes for the relaxation data checks in the BMRB system tests.
Modified:
branches/relax_data/test_suite/system_tests/bmrb.py
Modified: branches/relax_data/test_suite/system_tests/bmrb.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/bmrb.py?rev=12774&r1=12773&r2=12774&view=diff
==============================================================================
--- branches/relax_data/test_suite/system_tests/bmrb.py (original)
+++ branches/relax_data/test_suite/system_tests/bmrb.py Thu Mar 3 12:47:46
2011
@@ -21,6 +21,7 @@
###############################################################################
# Python module imports.
+from copy import deepcopy
import inspect
from numpy import ndarray
from os import remove, sep
@@ -85,7 +86,7 @@
if version == '3.0':
blacklist_spin = blacklist_spin + ['r', 'local_tm',
'local_tm_err']
blacklist_diff = []
- blacklist_global = ['diff_tensor', 'exp_info', 'hybrid_pipes',
'mol', 'sim_number', 'sim_state'] + ['frq', 'frq_labels', 'noe_r1_table',
'remap_table', 'ri_labels']
+ blacklist_global = ['diff_tensor', 'exp_info', 'hybrid_pipes',
'mol', 'sim_number', 'sim_state'] + ['ri_ids', 'frq', 'ri_type']
# The data pipes.
old_pipe = ds[old_pipe_name]
@@ -115,7 +116,7 @@
# Check the containers.
self.data_cont_comp(label='Spin',
cont_old=old_pipe.mol[i].res[j].spin[k],
cont_new=new_pipe.mol[i].res[j].spin[k], blacklist=blacklist_spin)
if hasattr(old_pipe.mol[i].res[j].spin[k], 'ri_labels'):
- self.data_ri_comp(label='Global',
cont_old=old_pipe.mol[i].res[j].spin[k],
cont_new=new_pipe.mol[i].res[j].spin[k])
+
self.data_ri_comp_spin(cont_old=old_pipe.mol[i].res[j].spin[k],
cont_new=new_pipe.mol[i].res[j].spin[k])
# The diffusion tensor.
if version != '3.0':
@@ -124,8 +125,8 @@
# The global data structures.
self.data_cont_comp(label='Global', cont_old=old_pipe,
cont_new=new_pipe, blacklist=blacklist_global)
- if hasattr(old_pipe, 'ri_labels'):
- self.data_ri_comp(label='Global', cont_old=old_pipe,
cont_new=new_pipe)
+ if hasattr(old_pipe, 'ri_ids'):
+ self.data_ri_comp_pipe(cont_old=old_pipe, cont_new=new_pipe)
def data_cont_comp(self, label=None, cont_old=None, cont_new=None,
prec=7, blacklist=[]):
@@ -197,40 +198,44 @@
self.assertEqual(obj_old, obj_new)
- def data_ri_comp(self, label=None, cont_old=None, cont_new=None, prec=7):
- """Compare the contents of the two data containers."""
+ def data_ri_comp_pipe(self, cont_old=None, cont_new=None):
+ """Compare the contents of the two pipe data containers."""
# Check that the new container has relaxation data.
- for name in ['frq', 'frq_labels', 'noe_r1_table', 'remap_table',
'ri_labels']:
+ for name in ['frq', 'ri_ids', 'ri_type']:
self.assert_(hasattr(cont_new, name))
- # Loop over the original relaxation data.
- for i in range(cont_old.num_ri):
- # A flag to make sure the data matches.
- match = False
-
- # Loop over the new relaxation data.
- for j in range(cont_old.num_ri):
- # Matching relaxation data.
- if cont_old.ri_labels[i] == cont_new.ri_labels[j] and
cont_old.frq_labels[cont_old.remap_table[i]] ==
cont_new.frq_labels[cont_new.remap_table[j]]:
- # NOE to R1 checks.
- if cont_old.noe_r1_table[i] == None:
- self.assertEqual(cont_new.noe_r1_table[j], None)
- else:
-
self.assertEqual(cont_old.ri_labels[cont_old.noe_r1_table[i]],
cont_new.ri_labels[cont_new.noe_r1_table[j]])
-
self.assertEqual(cont_old.remap_table[cont_old.noe_r1_table[i]],
cont_new.remap_table[cont_new.noe_r1_table[j]])
-
self.assertEqual(cont_old.frq_labels[cont_old.remap_table[cont_old.noe_r1_table[i]]],
cont_new.frq_labels[cont_new.remap_table[cont_new.noe_r1_table[j]]])
-
- # Relaxation data checks.
- if hasattr(cont_old, 'relax_data'):
- self.assertAlmostEqual(cont_old.relax_data[i],
cont_new.relax_data[j])
- self.assertAlmostEqual(cont_old.relax_error[i],
cont_new.relax_error[j])
-
- # Flag.
- match = True
-
- # No match.
- self.assert_(match)
+ # Check the IDs.
+ old_ids = deepcopy(cont_old.ri_ids)
+ new_ids = deepcopy(cont_new.ri_ids)
+ old_ids.sort()
+ new_ids.sort()
+ self.assertEqual(old_ids, new_ids)
+
+ # Check the frequencies and types.
+ for ri_id in old_ids:
+ self.assertEqual(cont_old.frq[ri_id], cont_new.frq[ri_id])
+ self.assertEqual(cont_old.ri_type[ri_id],
cont_new.ri_type[ri_id])
+
+
+ def data_ri_comp_spin(self, cont_old=None, cont_new=None):
+ """Compare the contents of the two spin data containers."""
+
+ # Check that the new container has relaxation data.
+ for name in ['ri_data', 'ri_data_err']:
+ self.assert_(hasattr(cont_new, name))
+
+ # Check the IDs.
+ old_ids = cont_old.ri_data.keys()
+ new_ids = cont_new.ri_data.keys()
+ old_ids.sort()
+ new_ids.sort()
+ self.assertEqual(old_ids, new_ids)
+
+ # Check the data and errors.
+ for ri_id in old_ids:
+ self.assertEqual(cont_old.ri_data[ri_id],
cont_new.ri_data[ri_id])
+ self.assertEqual(cont_old.ri_data_err[ri_id],
cont_new.ri_data_err[ri_id])
def test_rw_bmrb_3_0_model_free(self):
r12774 - /branches/relax_data/test_suite/system_tests/bmrb.py