Author: bugman
Date: Mon Nov 26 16:02:37 2007
New Revision: 4032
URL: http://svn.gna.org/viewcvs/relax?rev=4032&view=rev
Log:
Merged revisions 4027-4031 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
........
r4027 | bugman | 2007-11-26 15:54:23 +0100 (Mon, 26 Nov 2007) | 5 lines
Removed the empty diff_tensor structure from the PipeContainer.
This will be added after its initialisation.
........
r4028 | bugman | 2007-11-26 15:55:56 +0100 (Mon, 26 Nov 2007) | 5 lines
Updated the generic_fns.diffusion_tensor.diff_data_exists() function.
The diff_tensor object is now tested for.
........
r4029 | bugman | 2007-11-26 15:57:52 +0100 (Mon, 26 Nov 2007) | 5 lines
Updated the generic_fns.diffusion_tensor.init() function.
The function now adds the DiffTensorData instance as diff_tensor into the
PipeContainer.
........
r4030 | bugman | 2007-11-26 15:59:48 +0100 (Mon, 26 Nov 2007) | 5 lines
Updated the test_delete() unit test.
The diff_tensor object should be removed by the delete() function.
........
r4031 | bugman | 2007-11-26 16:01:21 +0100 (Mon, 26 Nov 2007) | 6 lines
Updated the generic_fns.diffusion_tensor.delete() function.
The DiffTensorData instance is not set up after deletion anymore. The
diff_tensor structure should
not exist.
........
Modified:
branches/N_state_model/ (props changed)
branches/N_state_model/data/pipe_container.py
branches/N_state_model/generic_fns/diffusion_tensor.py
branches/N_state_model/test_suite/unit_tests/diffusion_tensor_testing_base.py
Propchange: branches/N_state_model/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Mon Nov 26 16:02:37 2007
@@ -1,1 +1,1 @@
-/1.3:1-3692,3695,3697-3713,3715-3719,3721-3728,3730-3731,3733-3755,3757-3807,3809-3833,3836-3838,3840-3869,3872-3905,3907-3986,4004,4014-4015,4018-4021
+/1.3:1-3692,3695,3697-3713,3715-3719,3721-3728,3730-3731,3733-3755,3757-3807,3809-3833,3836-3838,3840-3869,3872-3905,3907-3986,4004,4014-4015,4018-4021,4027-4031
Modified: branches/N_state_model/data/pipe_container.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/data/pipe_container.py?rev=4032&r1=4031&r2=4032&view=diff
==============================================================================
--- branches/N_state_model/data/pipe_container.py (original)
+++ branches/N_state_model/data/pipe_container.py Mon Nov 26 16:02:37 2007
@@ -39,9 +39,6 @@
# Molecular structure data.
self.structure = SpecificData()
-
- # Diffusion data.
- self.diff_tensor = DiffTensorData()
# The molecule-residue-spin object.
self.mol = MoleculeList()
Modified: branches/N_state_model/generic_fns/diffusion_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/diffusion_tensor.py?rev=4032&r1=4031&r2=4032&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/diffusion_tensor.py (original)
+++ branches/N_state_model/generic_fns/diffusion_tensor.py Mon Nov 26
16:02:37 2007
@@ -146,9 +146,6 @@
# Delete the diffusion data.
del(relax_data_store[relax_data_store.current_pipe].diff_tensor)
- # Put the container back (but empty).
- relax_data_store[relax_data_store.current_pipe].diff_tensor =
DiffTensorData()
-
def diff_data_exists(pipe=None):
"""Function for determining if diffusion data exists in the current data
pipe.
@@ -163,8 +160,8 @@
if pipe == None:
pipe = relax_data_store.current_pipe
- # Test if tm exists.
- if hasattr(relax_data_store[pipe].diff_tensor, 'tm'):
+ # Test if the data structure exists.
+ if hasattr(relax_data_store[pipe], 'diff_tensor'):
return True
else:
return False
@@ -539,6 +536,9 @@
valid_types = ['deg', 'rad']
if not angle_units in valid_types:
raise RelaxError, "The diffusion tensor 'angle_units' argument " +
`angle_units` + " should be either 'deg' or 'rad'."
+
+ # Add the diff_tensor object to the data pipe.
+ cdp.diff_tensor = DiffTensorData()
# Set the fixed flag.
cdp.diff_tensor.fixed = fixed
Modified:
branches/N_state_model/test_suite/unit_tests/diffusion_tensor_testing_base.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/test_suite/unit_tests/diffusion_tensor_testing_base.py?rev=4032&r1=4031&r2=4032&view=diff
==============================================================================
---
branches/N_state_model/test_suite/unit_tests/diffusion_tensor_testing_base.py
(original)
+++
branches/N_state_model/test_suite/unit_tests/diffusion_tensor_testing_base.py
Mon Nov 26 16:02:37 2007
@@ -204,14 +204,14 @@
prompt.diffusion_tensor.delete().
"""
- # Set the tm value.
- relax_data_store['orig'].diff_tensor.tm = 0.0
+ # Initialise the tensor.
+ self.diffusion_tensor_fns.init(params=(8.6, 1.3, 600, -20),
time_scale=1e-9, d_scale=1e7, angle_units='deg', param_types=2,
spheroid_type='prolate', fixed=0)
# Delete the tensor data.
self.diffusion_tensor_fns.delete()
- # Test that tm does not exist.
- self.failIf(hasattr(relax_data_store['orig'].diff_tensor, 'tm'))
+ # Test that the diff_tensor object does not exist.
+ self.failIf(hasattr(relax_data_store['orig'], 'diff_tensor'))
def test_delete_fail_no_data(self):
r4032 - in /branches/N_state_model: ./ data/ generic_fns/ test_suite/unit_tests/