From 98487f81d9b0367623dc23f2e3e143287c05ff47 Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Fri, 9 Dec 2022 11:45:13 -0700 Subject: [PATCH] doc/reST fixes in convergence.py (reduces warnings) --- src/alchemlyb/convergence/convergence.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/src/alchemlyb/convergence/convergence.py b/src/alchemlyb/convergence/convergence.py index ea02afa3..a91c1d81 100644 --- a/src/alchemlyb/convergence/convergence.py +++ b/src/alchemlyb/convergence/convergence.py @@ -198,7 +198,7 @@ def _cummean(vals, out_length): def fwdrev_cumavg_Rc(series, precision=0.01, tol=2): - """Generate the convergence criteria :math:`R_c` for a single simulation. + r"""Generate the convergence criteria :math:`R_c` for a single simulation. The input will be :class:`pandas.Series` generated by :func:`~alchemlyb.preprocessing.subsampling.decorrelate_u_nk` or @@ -217,9 +217,9 @@ def fwdrev_cumavg_Rc(series, precision=0.01, tol=2): series : pandas.Series The input energy array. precision : float - The precision of the output :math:`R_c`. To speed the calculation up, the data - has been block-averaged before doing the calculation, the size of the - block is controlled by the desired precision. + The precision of the output :math:`R_c`. To speed the calculation up, + the data has been block-averaged before doing the calculation, the size + of the block is controlled by the desired precision. tol : float Tolerance (or convergence threshold :math:`\epsilon` in [Fan2021]_) in :math:`kT`. @@ -295,7 +295,7 @@ def fwdrev_cumavg_Rc(series, precision=0.01, tol=2): def A_c(series_list, precision=0.01, tol=2): - """Generate the ensemble convergence criteria :math:`A_c` for a set of simulations. + r"""Generate the ensemble convergence criteria :math:`A_c` for a set of simulations. The input is a :class:`list` of :class:`pandas.Series` generated by :func:`~alchemlyb.preprocessing.subsampling.decorrelate_u_nk` or