Author: bugman
Date: Fri Jun 14 16:56:37 2013
New Revision: 20122
URL: http://svn.gna.org/viewcvs/relax?rev=20122&view=rev
Log:
Merged revisions 20111-20121 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r20111 | bugman | 2013-06-14 10:48:59 +0200 (Fri, 14 Jun 2013) | 3 lines
Removed some now irrelevant information from the rdc.read user function
docstring.
........
r20112 | bugman | 2013-06-14 10:52:12 +0200 (Fri, 14 Jun 2013) | 3 lines
Removed a false prompt example from the rdc.read user function docstring.
........
r20113 | bugman | 2013-06-14 11:22:07 +0200 (Fri, 14 Jun 2013) | 6 lines
Created an entire new user function class for handling J couplings in the
relax data store.
This derives from the RDC user function modules. The following functions
have been created:
j_coupling.copy, j_coupling.delete, j_coupling.display, j_coupling.read,
and j_coupling.write.
........
r20114 | bugman | 2013-06-14 11:39:19 +0200 (Fri, 14 Jun 2013) | 3 lines
Added a check for the RDC data type to the rdc.read user function.
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r20115 | bugman | 2013-06-14 11:44:55 +0200 (Fri, 14 Jun 2013) | 5 lines
The rdc.read user function can now handle T = J+D type data.
Support for this in the specific analyses is yet to be added.
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r20116 | bugman | 2013-06-14 13:44:25 +0200 (Fri, 14 Jun 2013) | 6 lines
Fixed for the rdc.read, j_coupling.read and interatomic.read_dist user
functions.
Comment lines are no longer removed, as it is impossible to tell a comment
line from a spin ID
string.
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r20117 | bugman | 2013-06-14 13:50:30 +0200 (Fri, 14 Jun 2013) | 6 lines
Split up the specific_analyses.n_state_model package into modules.
The new data and parameter modules have been created by shifting out method
from the __init__ module
and converting them into functions of the two new modules. This is to
simplify the package.
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r20118 | bugman | 2013-06-14 13:54:21 +0200 (Fri, 14 Jun 2013) | 3 lines
Shifted another method from the N_state_model class to the
specific_analyses.n_state_model.data module.
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r20119 | bugman | 2013-06-14 16:00:46 +0200 (Fri, 14 Jun 2013) | 7 lines
Added support for the T = J+D RDC data type to the N-state model target
function.
The J couplings are sent into the target function class when the 'T' RDC
data type is encountered.
These measured values are then added to the back-calculated RDC values to
produced T(theta) which
is then compared to T via the chi-squared function.
........
r20120 | bugman | 2013-06-14 16:54:48 +0200 (Fri, 14 Jun 2013) | 5 lines
Fix for the new specific_analyses.n_state_model.data.opt_uses_j_couplings()
function.
The cdp.rdc_data_types appears not to have all alignments IDs within it.
........
r20121 | bugman | 2013-06-14 16:55:53 +0200 (Fri, 14 Jun 2013) | 6 lines
Removed the check for Numeric Python in the dep_check module.
This Python module not been used within relax for the better part of a
decade. This check is not
needed.
........
Added:
branches/relax_disp/pipe_control/j_coupling.py
- copied unchanged from r20121, trunk/pipe_control/j_coupling.py
branches/relax_disp/specific_analyses/n_state_model/data.py
- copied unchanged from r20121,
trunk/specific_analyses/n_state_model/data.py
branches/relax_disp/specific_analyses/n_state_model/parameters.py
- copied unchanged from r20121,
trunk/specific_analyses/n_state_model/parameters.py
branches/relax_disp/user_functions/j_coupling.py
- copied unchanged from r20121, trunk/user_functions/j_coupling.py
Modified:
branches/relax_disp/ (props changed)
branches/relax_disp/dep_check.py
branches/relax_disp/lib/errors.py
branches/relax_disp/pipe_control/interatomic.py
branches/relax_disp/pipe_control/rdc.py
branches/relax_disp/specific_analyses/n_state_model/__init__.py
branches/relax_disp/target_functions/n_state_model.py
branches/relax_disp/user_functions/__init__.py
branches/relax_disp/user_functions/n_state_model.py
branches/relax_disp/user_functions/rdc.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: branches/relax_disp/dep_check.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/dep_check.py?rev=20122&r1=20121&r2=20122&view=diff
Modified: branches/relax_disp/lib/errors.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/errors.py?rev=20122&r1=20121&r2=20122&view=diff
Modified: branches/relax_disp/pipe_control/interatomic.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/pipe_control/interatomic.py?rev=20122&r1=20121&r2=20122&view=diff
Modified: branches/relax_disp/pipe_control/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/pipe_control/rdc.py?rev=20122&r1=20121&r2=20122&view=diff
Modified: branches/relax_disp/specific_analyses/n_state_model/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/n_state_model/__init__.py?rev=20122&r1=20121&r2=20122&view=diff
Modified: branches/relax_disp/target_functions/n_state_model.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/target_functions/n_state_model.py?rev=20122&r1=20121&r2=20122&view=diff
Modified: branches/relax_disp/user_functions/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/__init__.py?rev=20122&r1=20121&r2=20122&view=diff
Modified: branches/relax_disp/user_functions/n_state_model.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/n_state_model.py?rev=20122&r1=20121&r2=20122&view=diff
Modified: branches/relax_disp/user_functions/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/rdc.py?rev=20122&r1=20121&r2=20122&view=diff
r20122 - in /branches/relax_disp: ./ lib/ pipe_control/ specific_analyses/n_state_model/ target_functions/ user_functions/