diff --git a/docs/requirements.yaml b/docs/requirements.yaml index 5f751a9..dab9e71 100644 --- a/docs/requirements.yaml +++ b/docs/requirements.yaml @@ -8,6 +8,7 @@ dependencies: - pip - sphinxcontrib-bibtex=2.5.0 + - mdanalysis-sphinx-theme - numpy - scipy @@ -15,4 +16,4 @@ dependencies: - cython - MDAnalysisTests - pytest - - mdanalysis-sphinx-theme + \ No newline at end of file diff --git a/docs/source/conf.py b/docs/source/conf.py index 0763c54..d9557ca 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -181,6 +181,6 @@ # -- Extension configuration ------------------------------------------------- intersphinx_mapping = { - 'python': ('https://docs.python.org/3/', None), - 'mdanalysis': ('https://docs.mdanalysis.org/stable/', None), + "python": ('https://docs.python.org/3/', None), + "mdanalysis": ('https://docs.mdanalysis.org/stable/', None), } diff --git a/mdaencore/similarity.py b/mdaencore/similarity.py index 99e6f30..bfc1765 100644 --- a/mdaencore/similarity.py +++ b/mdaencore/similarity.py @@ -22,8 +22,12 @@ # """\ The module contains implementations of similarity measures between protein -ensembles described in :cite:p:`b-LindorffLarsen2009`. The implementation and -examples are described in :cite:p:`b-Tiberti2015`. +ensembles. + +The similarity measure algorithms here are as described +in :footcite:p:`LindorffLarsen2009`. +The implementation and examples are also further +described in :footcite:p:`Tiberti2015`. The module includes facilities for handling ensembles and trajectories through the :class:`Universe` class, performing clustering or dimensionality reduction @@ -44,7 +48,7 @@ + **Clustering based convergence evaluation** : :func:`ces_convergence` + **Dimensionality-reduction based convergence evaluation** : :func:`dres_convergence` -When using this module in published work please cite :cite:p:`b-Tiberti2015`. +When using this module in published work please cite :footcite:p:`Tiberti2015`. .. _Examples: Examples @@ -154,13 +158,8 @@ .. rubric:: References -.. bibliography:: - :filter: False - :keyprefix: b- - :labelprefix: ᵇ +.. footbibliography:: - Tiberti2015 - LindorffLarsen2009 """ import warnings import logging @@ -246,7 +245,7 @@ def harmonic_ensemble_similarity(sigma1, x2): """ Calculate the harmonic ensemble similarity measure - as defined in :cite:p:`b-Tiberti2015`. + as defined in :footcite:p:`Tiberti2015`. Parameters ---------- @@ -719,7 +718,7 @@ def hes(ensembles, r"""Calculates the Harmonic Ensemble Similarity (HES) between ensembles. The HES is calculated with the symmetrized version of Kullback-Leibler - divergence as described in :cite:p:`b-Tiberti2015`. + divergence as described in :footcite:p:`Tiberti2015`. Parameters ---------- @@ -962,7 +961,7 @@ def ces(ensembles, Calculates the Clustering Ensemble Similarity (CES) between ensembles using the Jensen-Shannon divergence as described in - :cite:p:`b-Tiberti2015`. + :footcite:p:`Tiberti2015`. Parameters ---------- @@ -1230,7 +1229,7 @@ def dres(ensembles, Calculates the Dimensional Reduction Ensemble Similarity (DRES) between ensembles using the Jensen-Shannon divergence as described in - :cite:p:`b-Tiberti2015`. + :footcite:p:`Tiberti2015`. Parameters