mailr27089 - /trunk/pipe_control/structure/main.py


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Posted by edward on December 11, 2014 - 13:13:
Author: bugman
Date: Thu Dec 11 13:13:19 2014
New Revision: 27089

URL: http://svn.gna.org/viewcvs/relax?rev=27089&view=rev
Log:
Some docstring expansions for the pipe_control.structure.main module 
functions.


Modified:
    trunk/pipe_control/structure/main.py

Modified: trunk/pipe_control/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=27089&r1=27088&r2=27089&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py        (original)
+++ trunk/pipe_control/structure/main.py        Thu Dec 11 13:13:19 2014
@@ -406,6 +406,9 @@
 def displacement(pipes=None, models=None, molecules=None, atom_id=None, 
centroid=None):
     """Calculate the rotational and translational displacement between 
structures or models.
 
+    All results will be placed into the current data pipe 
cdp.structure.displacements data structure.
+
+
     @keyword pipes:     The data pipes to determine the displacements for.
     @type pipes:        None or list of str
     @keyword models:    The list of models to determine the displacements 
for.  The number of elements must match the pipes argument.  If set to None, 
then all models will be used.
@@ -436,6 +439,9 @@
 
 def find_pivot(pipes=None, models=None, molecules=None, atom_id=None, 
init_pos=None, func_tol=1e-5, box_limit=200):
     """Find the pivoted motion of a set of structural models or structures.
+
+    The pivot will be placed into the current data pipe cdp.structure.pivot 
data structure.
+
 
     @keyword pipes:     The data pipes to use in the motional pivot 
algorithm.
     @type pipes:        None or list of str
@@ -977,6 +983,9 @@
 def rmsd(pipes=None, models=None, molecules=None, atom_id=None):
     """Calculate the RMSD between the loaded models.
 
+    The RMSD value will be placed into the current data pipe 
cdp.structure.rmsd data structure.
+
+
     @keyword pipes:     The data pipes to determine the RMSD for.
     @type pipes:        None or list of str
     @keyword models:    The list of models to determine the RMSD for.  The 
number of elements must match the pipes argument.  If set to None, then all 
models will be used.




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