From c4a9959c8c62e9a04cd6bb21a96348cb86475ae6 Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Mon, 5 Nov 2018 20:58:31 -0700 Subject: [PATCH] integrated docs for CG_fiber dataset - fix #27 - added CHANGELOG entry - make fetch_CG_fiber() show up in docs --- CHANGELOG.md | 3 +++ MDAnalysisData/CG_fiber.py | 4 ++-- MDAnalysisData/descr/CG_fiber.rst | 6 +++--- docs/index.rst | 1 + docs/usage.rst | 1 + 5 files changed, 10 insertions(+), 5 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 096ca81..3335788 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -5,6 +5,9 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). ## [Unreleased] +### Added +- new `fetch_CG_fiber()` to get CG_fiber dataset (PR #24) + ### Fixes - fixed fetch_adk_transitions_DIMS() failed to fetch (#19) - added six to install requirements (#22) diff --git a/MDAnalysisData/CG_fiber.py b/MDAnalysisData/CG_fiber.py index fa94c8a..4b9cfa4 100644 --- a/MDAnalysisData/CG_fiber.py +++ b/MDAnalysisData/CG_fiber.py @@ -62,7 +62,7 @@ def fetch_CG_fiber(data_home=None, download_if_missing=True): Description of the trajectory. - See :ref:`CG_fiber` for description. + See :ref:`CG_fiber-dataset` for description. """ name = NAME data_location = join(get_data_home(data_home=data_home), @@ -83,6 +83,6 @@ def fetch_CG_fiber(data_home=None, download_if_missing=True): file_type, meta.url, local_path)) archive_path = _fetch_remote(meta, dirname=data_location) - #records.DESCR = _read_description(DESCRIPTION) + records.DESCR = _read_description(DESCRIPTION) return records diff --git a/MDAnalysisData/descr/CG_fiber.rst b/MDAnalysisData/descr/CG_fiber.rst index a9eeee0..384ad12 100644 --- a/MDAnalysisData/descr/CG_fiber.rst +++ b/MDAnalysisData/descr/CG_fiber.rst @@ -1,9 +1,9 @@ .. -*- coding: utf-8 -*- -.. _`CG_fiber`: +.. _`CG_fiber-dataset`: - CG fiber dataset -================================== +CG fiber dataset +================ MD trajectory showing the self-assembly of an amphiphilic molecule. diff --git a/docs/index.rst b/docs/index.rst index e85f306..6393d56 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -89,3 +89,4 @@ of pull requests are very welcome. ifabp_water nhaa_equilibrium vesicles + CG_fiber diff --git a/docs/usage.rst b/docs/usage.rst index 2f3be3e..0fe18fe 100644 --- a/docs/usage.rst +++ b/docs/usage.rst @@ -21,6 +21,7 @@ represent. The currently included datasets are: ifabp_water nhaa_equilibrium vesicles + CG_fiber Accessing a dataset ===================