Author: bugman
Date: Thu Aug 4 18:05:32 2011
New Revision: 14144
URL: http://svn.gna.org/viewcvs/relax?rev=14144&view=rev
Log:
Improvements to the structure.vector user fucntion docstring.
Modified:
branches/gui_testing/prompt/structure.py
Modified: branches/gui_testing/prompt/structure.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/prompt/structure.py?rev=14144&r1=14143&r2=14144&view=diff
==============================================================================
--- branches/gui_testing/prompt/structure.py (original)
+++ branches/gui_testing/prompt/structure.py Thu Aug 4 18:05:32 2011
@@ -370,15 +370,15 @@
vectors._doc_args = [
["attached", "The name of the second atom which attached to the spin
of interest. Regular expression is allowed, for example 'H*'."],
["spin_id", "The spin identification string."],
- ["model", "The model to extract bond vectors from (which if set to
None will cause the vectors of all models to be extracted)."],
+ ["model", "The model to extract bond vectors from (which if not set
will cause the vectors of all models to be extracted)."],
["verbosity", "The amount of information to print to screen. Zero
corresponds to minimal output while higher values increase the amount of
output. The default value is 1."],
["ave", "A flag which if True will cause the bond vectors from all
models to be averaged. If vectors from only one model is extracted, this
argument will have no effect."],
["unit", "A flag which if True will cause the unit vector to
calculated rather than the full length bond vector."]
]
vectors._doc_desc = """
- For a number of types of analysis, bond vectors or unit bond vectors
are required for the calculations. This user function allows these vectors
to be extracted from the loaded structures. The bond vector will be that
from the atom associated with the spin system loaded in relax to the bonded
atom specified by the 'attached' argument. For example if 'attached' is set
to 'H' and the protein backbone amide spins 'N' are loaded, the all 'N-H'
vectors will be extracted. But if set to 'CA', all atoms named 'CA' in the
structures will be searched for and all 'N-Ca' bond vectors will be extracted.
-
- The extraction of vectors can occur in a number of ways. For
example if an NMR structure with N models is loaded or if multiple molecules,
from any source, of the same compound are loaded as different models, there
are three options for extracting the bond vector. Firstly the bond vector of
a single model can be extracted by setting the 'model' argument. Secondly the
bond vectors from all models can be extracted if 'model' is None and 'ave' is
set to False. Thirdly, if 'model' is None and 'ave' is set to True, then a
single vector which is the average for all models will be calculated.
+ For a number of types of analysis, bond vectors or unit bond vectors
are required for the calculations. This user function allows these vectors
to be extracted from the loaded structures. The bond vector will be that
from the atom associated with the spin system loaded in relax to the bonded
atom specified by the 'attached' argument. For example if the attached atom
is set to 'H' and the protein backbone amide spins 'N' are loaded, the all
'N-H' vectors will be extracted. But if set to 'CA', all atoms named 'CA' in
the structures will be searched for and all 'N-Ca' bond vectors will be
extracted.
+
+ The extraction of vectors can occur in a number of ways. For
example if an NMR structure with N models is loaded or if multiple molecules,
from any source, of the same compound are loaded as different models, there
are three options for extracting the bond vector. Firstly the bond vector of
a single model can be extracted by setting the model number. Secondly the
bond vectors from all models can be extracted if the model number is not set
and the average vector flag is not set. Thirdly, if the model number is not
set and the average vector flag is set, then a single vector which is the
average for all models will be calculated.
"""
vectors._doc_examples = """
To extract the XH vectors of the backbone amide nitrogens where in
the PDB file the backbone
r14144 - /branches/gui_testing/prompt/structure.py