From 5fc3d9a30d89412b2582b9be5403418e42609128 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?C=C3=A9dric=20Bouysset?= Date: Fri, 11 Jun 2021 12:31:10 +0200 Subject: [PATCH] fix sphinx warnings --- README.rst | 3 +++ prolif/fingerprint.py | 16 +++++++++------- prolif/plotting/network.py | 4 ++-- 3 files changed, 14 insertions(+), 9 deletions(-) diff --git a/README.rst b/README.rst index 4e05f8e..9783502 100644 --- a/README.rst +++ b/README.rst @@ -32,6 +32,9 @@ Documentation The installation instructions, documentation and tutorials can be found online on `ReadTheDocs `_. +| ⚠ Do not ``pip install prolif`` yet ⚠ +| Please refer to the installation instructions instead (and `this comment `__ if you want to know the details) + Issues ------ diff --git a/prolif/fingerprint.py b/prolif/fingerprint.py index 09b96a1..b946fd4 100644 --- a/prolif/fingerprint.py +++ b/prolif/fingerprint.py @@ -218,10 +218,10 @@ def bitvector_atoms(self, res1, res2): A list containing indices for the protein atoms responsible for each interaction - .. versionchanged:: 0.3.2 - Returns atom indices as two separate lists instead of a single list - of tuples + Atom indices are returned as two separate lists instead of a single + list of tuples + """ bitvector = [] lig_atoms = [] @@ -334,6 +334,7 @@ def run(self, traj, lig, prot, residues=None, progress=True): .. versionchanged:: 0.3.2 Moved the ``return_atoms`` parameter from the ``run`` method to the dataframe conversion code + """ iterator = tqdm(traj) if progress else traj if residues == "all": @@ -387,14 +388,15 @@ def run_from_iterable(self, lig_iterable, prot_mol, residues=None, >>> fp = plf.Fingerprint() >>> fp.run_from_iterable(lig_iter, prot) - Notes - ----- - See :meth:`~Fingerprint.generate` to generate the fingerprint between - two single structures + .. seealso:: + + :meth:`Fingerprint.generate` to generate the fingerprint between + two single structures .. versionchanged:: 0.3.2 Moved the ``return_atoms`` parameter from the ``run_from_iterable`` method to the dataframe conversion code + """ iterator = tqdm(lig_iterable) if progress else lig_iterable if residues == "all": diff --git a/prolif/plotting/network.py b/prolif/plotting/network.py index fb0d303..edca756 100644 --- a/prolif/plotting/network.py +++ b/prolif/plotting/network.py @@ -2,6 +2,8 @@ Plot a Ligand Interaction Network --- :mod:`prolif.plotting.network` ==================================================================== +.. versionadded:: 0.3.2 + .. autoclass:: LigNetwork :members: @@ -71,8 +73,6 @@ class LigNetwork: You can customize the diagram by tweaking :attr:`LigNetwork.COLORS` and :attr:`LigNetwork.RESIDUE_TYPES` by adding or modifying the dictionaries inplace. - - .. versionadded:: 0.3.2 """ COLORS = { "interactions": {