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Merge pull request #1674 from helvrud/calc_re

Calc re
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fweik committed Dec 6, 2017
2 parents ee0115d + 0c34960 commit 2f667340b3c43e8db576ac139da4a393f98e5c61
Showing with 5 additions and 9 deletions.
  1. +5 −9 src/python/espressomd/analyze.pyx
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14 src/python/espressomd/analyze.pyx 100755 → 100644
@@ -737,7 +737,7 @@ class Analysis(object):
def calc_re(self, chain_start=None, number_of_chains=None, chain_length=None):
"""
Calculates the Root Mean Square end-to-end distance of chains and its
Calculates the Mean end-to-end distance of chains and its
standard deviation, as well as Mean Square end-to-end distance of
chains and its standard deviation.
@@ -761,7 +761,7 @@ class Analysis(object):
Returns
-------
array_like : :obj:`float`
Where [0] is the Root Mean Square end-to-end distance of chains
Where [0] is the Mean end-to-end distance of chains
and [1] its standard deviation,
[2] the Mean Square end-to-end distance
and [3] its standard deviation.
@@ -777,18 +777,14 @@ class Analysis(object):
def calc_rg(self, chain_start=None, number_of_chains=None, chain_length=None):
"""
Calculates the radius of gyration of chains and its standard deviation,
as well as the Mean Square radius of gyration of chains and its
Calculates the mean radius of gyration of chains and its standard deviation,
as well as the mean square radius of gyration of chains and its
standard deviation.
This requires that a set of chains of equal length which start with the
particle with particle number ``chain_start`` and are consecutively
numbered, the last particle in that topology has id number
.. math::
``chain_start`` + ``number_of_chains`` * ``chain_length`` - 1.
Parameters
----------
chain_start : :obj:`int`.
@@ -801,7 +797,7 @@ class Analysis(object):
Returns
-------
array_like : :obj:`float`
Where [0] is the Root Mean Square radius of gyration of the chains
Where [0] is the Mean radius of gyration of the chains
and [1] its standard deviation,
[2] the Mean Square radius of gyration
and [3] its standard deviation.

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