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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