From 4b908ab11f7296beb62e183a7154d1c0d8a10208 Mon Sep 17 00:00:00 2001 From: ALescoulie Date: Tue, 10 Oct 2023 06:25:11 +0000 Subject: [PATCH] fix pep8 after rebase --- package/MDAnalysis/analysis/nucleicacids.py | 35 ++++++++++--------- .../analysis/test_nucleicacids.py | 2 +- 2 files changed, 19 insertions(+), 18 deletions(-) diff --git a/package/MDAnalysis/analysis/nucleicacids.py b/package/MDAnalysis/analysis/nucleicacids.py index 81e9ec86d89..3622f96d2d5 100644 --- a/package/MDAnalysis/analysis/nucleicacids.py +++ b/package/MDAnalysis/analysis/nucleicacids.py @@ -117,18 +117,18 @@ class NucPairDist(AnalysisBase): `results.pair_distances` is slated for deprecation in version 3.0.0, use `results.distances` instead. .. deprecated:: 2.7.0 - `results.pair_distances` will be removed in + `results.pair_distances` will be removed in version 3.0.0, use :attr:`results.distances` instead. results.distances: numpy.ndarray stored in a 2d numpy array with first index selecting the Residue pair, and the second index selecting the frame number Distances are stored in a 2d numpy array with axis 0 (first index) - indexing the trajectory frame and axis 1 (second index) selecting the + indexing the trajectory frame and axis 1 (second index) selecting the Residue pair. - + .. versionadded:: 2.7.0 - + times: numpy.ndarray Simulation times for analysis. @@ -317,10 +317,10 @@ class WatsonCrickDist(NucPairDist): ---------- strand1: ResidueClass First list of bases - + .. deprecated:: 2.7.0 Using a list of :class:`~MDAnalysis.core.groups.Residue` will - be removed in 3.0.0. Use a + be removed in 3.0.0. Use a :class:`~MDAnalysis.core.groups.ResidueGroup`. strand2: ResidueClass @@ -328,9 +328,9 @@ class WatsonCrickDist(NucPairDist): .. deprecated:: 2.7.0 Using a list of :class:`~MDAnalysis.core.groups.Residue` will - be removed in 3.0.0. Use a + be removed in 3.0.0. Use a :class:`~MDAnalysis.core.groups.ResidueGroup`. - + n1_name: str (optional) Name of Nitrogen 1 of nucleic acids, by default assigned to "N1" n3_name: str (optional) @@ -353,7 +353,7 @@ class WatsonCrickDist(NucPairDist): ---------- results.distances: numpy.ndarray Distances are stored in a 2d numpy array with axis 0 (first index) - indexing the trajectory frame and axis 1 (second index) selecting the + indexing the trajectory frame and axis 1 (second index) selecting the Residue pair. .. versionadded:: 2.7.0 @@ -367,7 +367,7 @@ class WatsonCrickDist(NucPairDist): .. versionadded:: 2.4.0 .. deprecated:: 2.7.0 - `results.pair_distances` will be removed in version 3.0.0, + `results.pair_distances` will be removed in version 3.0.0, use :attr:`results.distances` instead. times: numpy.ndarray @@ -380,9 +380,10 @@ class WatsonCrickDist(NucPairDist): non-Residue elements .. deprecated:: 2.7.0 - Starting with version 3.0.0, this exception will no longer be raised - because only :class:`~MDAnalysis.core.groups.ResidueGroup` will be allowed. - + Starting with version 3.0.0, this exception will no longer + be raised because only + :class:`~MDAnalysis.core.groups.ResidueGroup` will be allowed. + ValueError If `strand1` and `strand2` are not the same length ValueError: @@ -489,14 +490,14 @@ class MinorPairDist(NucPairDist): c_name: str (optional) Name of Cytosine in topology; by default assigned to "C"; - **kwargs: - keyword arguments for + **kwargs: + keyword arguments for :class:`~MDAnalysis.analysis.base.AnalysisBase` Attributes ---------- results.distances: numpy.ndarray - stored in a 2d numpy array with first index selecting + stored in a 2d numpy array with first index selecting the Residue pair, and the second index selecting the frame number times: numpy.ndarray Simulation times for analysis. @@ -578,7 +579,7 @@ class MajorPairDist(NucPairDist): ---------- results.distances: numpy.ndarray Distances are stored in a 2d numpy array with axis 0 (first index) - indexing the trajectory frame and axis 1 (second index) selecting the + indexing the trajectory frame and axis 1 (second index) selecting the Residue pair. times: numpy.ndarray Simulation times for analysis. diff --git a/testsuite/MDAnalysisTests/analysis/test_nucleicacids.py b/testsuite/MDAnalysisTests/analysis/test_nucleicacids.py index 7e5310584ab..d0bfb7c381d 100644 --- a/testsuite/MDAnalysisTests/analysis/test_nucleicacids.py +++ b/testsuite/MDAnalysisTests/analysis/test_nucleicacids.py @@ -29,7 +29,7 @@ from MDAnalysis.analysis.nucleicacids import (NucPairDist, WatsonCrickDist, MajorPairDist, MinorPairDist) - + from MDAnalysisTests.datafiles import RNA_PSF, RNA_PDB from MDAnalysis.core.groups import ResidueGroup