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Update documentation (on RTD) and also update docstrings (#116)
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* Switch hyperlinks to RST

* Separate documentation for `DAT_restraints` by using `@property`

* Finish running through restraints documentation.

* Make each API a separate restructed text document

* Update documentation outline and add side bar links

* Remove unused import

* Make BaseExceptions more specific

* Remove unnecessary OpenMM import

* Flesh out the format of the ``results`` dictionary in the documentation

* Correctly read in class properties as instance attributes when loading restraints from JSON

* Bug fix typo

* Remove unnecessary import

* Add `tleap` module documentation
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slochower committed Nov 4, 2019
1 parent f4c629f commit 7114cff
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7 changes: 7 additions & 0 deletions docs/align.rst
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Align API
---------

.. automodule:: paprika.align
:members:
:undoc-members:

7 changes: 7 additions & 0 deletions docs/amber.rst
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AMBER Simulation Wrapper API
----------------------------

.. automodule:: paprika.amber
:members:
:undoc-members:

7 changes: 7 additions & 0 deletions docs/analysis.rst
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Analysis API
------------

.. automodule:: paprika.analysis
:members:
:undoc-members:

16 changes: 14 additions & 2 deletions docs/index.rst
Expand Up @@ -28,11 +28,23 @@ Index

**Developer Documentation**

* :doc:`api`
* :doc:`align`
* :doc:`analysis`
* :doc:`amber`
* :doc:`restraints`
* :doc:`tleap`


.. toctree::
:maxdepth: 4
:hidden:
:caption: Developer Documentation

api
align
analysis
amber
restraints
tleap


**Write about convenience functions**
4 changes: 2 additions & 2 deletions docs/install.rst
Expand Up @@ -5,7 +5,7 @@ We recommend installing pAPRika in a fresh ``conda`` environment if possible. Th

1. The latest release on ``conda-forge``:
a. ``conda install -c conda-forge paprika``
b. To use all features of pAPRika, you must either have [AmberTools](http://ambermd.org/AmberTools.php) in your `$PATH` or separately install AmberTools with `conda install -c http://ambermd.org/downloads/ambertools/conda/ ambertools=18`.
b. To use all features of pAPRika, you must either have _AmberTools: http://ambermd.org/AmberTools.php in your `$PATH` or separately install AmberTools with ``conda install -c http://ambermd.org/downloads/ambertools/conda/ ambertools=19``.
c. To use OpenMM features: ``conda install -c omnia openmm``.

2. The master branch on GitHub:
Expand All @@ -16,7 +16,7 @@ We recommend installing pAPRika in a fresh ``conda`` environment if possible. Th
e. Install ``paprika`` in the environment: ``pip install .``

3. The latest release on GitHub:
a. Download [the latest release](https://github.com/slochower/pAPRika/releases), extract it, and change to the ``paprika`` directory:
a. Download _the latest release: https://github.com/slochower/pAPRika/releases, extract it, and change to the ``paprika`` directory:
b. Change the ``name`` field in ``devtools/conda-envs/test_env.yaml`` to be ``paprika``.
c. Create the environment: ``conda env create -f devtools/conda-envs/test_env.yaml``.
d. Activate the environment: ``conda activate paprika``
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8 changes: 1 addition & 7 deletions docs/api.rst → docs/restraints.rst
@@ -1,8 +1,3 @@
API
===

A set of API documents for this projects classes and modules.

Restraints API
---------------

Expand All @@ -22,5 +17,4 @@ Restraints API

.. automodule:: paprika.restraints.utils
:members:
:undoc-members:

:undoc-members:
7 changes: 7 additions & 0 deletions docs/tleap.rst
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Tleap API
------------

.. automodule:: paprika.tleap
:members:
:undoc-members:

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