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janash committed Apr 11, 2024
1 parent d71fb99 commit 3d68a41
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10 changes: 4 additions & 6 deletions 01-package-setup.html
Original file line number Diff line number Diff line change
Expand Up @@ -581,19 +581,18 @@ <h3>Running CookieCutter<a class="headerlink" href="#running-cookiecutter" title
<span class="m">2</span><span class="w"> </span>-<span class="w"> </span>BSD-3-Clause
<span class="m">3</span><span class="w"> </span>-<span class="w"> </span>LGPLv3
<span class="m">4</span><span class="w"> </span>-<span class="w"> </span>Not<span class="w"> </span>Open<span class="w"> </span>Source
Choose<span class="w"> </span>from<span class="w"> </span><span class="m">1</span>,<span class="w"> </span><span class="m">2</span>,<span class="w"> </span><span class="m">3</span>,<span class="w"> </span><span class="m">4</span><span class="w"> </span><span class="o">(</span><span class="m">1</span>,<span class="w"> </span><span class="m">2</span>,<span class="w"> </span><span class="m">3</span>,<span class="w"> </span><span class="m">4</span><span class="o">)</span><span class="w"> </span><span class="o">[</span><span class="m">1</span><span class="o">]</span>:<span class="w"> </span><span class="m">2</span>
Choose<span class="w"> </span>from<span class="w"> </span><span class="o">[</span><span class="m">1</span>/2/3/4<span class="o">]</span><span class="w"> </span><span class="o">(</span><span class="m">1</span><span class="o">)</span>:

Select<span class="w"> </span>dependency_source:
<span class="m">1</span><span class="w"> </span>-<span class="w"> </span>Prefer<span class="w"> </span>conda-forge<span class="w"> </span>with<span class="w"> </span>pip<span class="w"> </span>fallback
<span class="m">2</span><span class="w"> </span>-<span class="w"> </span>Prefer<span class="w"> </span>default<span class="w"> </span>anaconda<span class="w"> </span>channel<span class="w"> </span>with<span class="w"> </span>pip<span class="w"> </span>fallback
<span class="m">3</span><span class="w"> </span>-<span class="w"> </span>Dependencies<span class="w"> </span>from<span class="w"> </span>pip<span class="w"> </span>only<span class="w"> </span><span class="o">(</span>no<span class="w"> </span>conda<span class="o">)</span>

Choose<span class="w"> </span>from<span class="w"> </span><span class="m">1</span>,<span class="w"> </span><span class="m">2</span>,<span class="w"> </span><span class="m">3</span><span class="w"> </span><span class="o">(</span><span class="m">1</span>,<span class="w"> </span><span class="m">2</span>,<span class="w"> </span><span class="m">3</span><span class="o">)</span><span class="w"> </span><span class="o">[</span><span class="m">1</span><span class="o">]</span>:
Choose<span class="w"> </span>from<span class="w"> </span><span class="o">[</span><span class="m">1</span>/2/3<span class="o">]</span><span class="w"> </span><span class="o">(</span><span class="m">1</span><span class="o">)</span>:

Select<span class="w"> </span>include_ReadTheDocs:
<span class="m">1</span><span class="w"> </span>-<span class="w"> </span>y
<span class="m">2</span><span class="w"> </span>-<span class="w"> </span>n
Choose<span class="w"> </span>from<span class="w"> </span><span class="m">1</span>,<span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="o">(</span><span class="m">1</span>,<span class="w"> </span><span class="m">2</span><span class="o">)</span><span class="w"> </span><span class="o">[</span><span class="m">1</span><span class="o">]</span>:
Choose<span class="w"> </span>from<span class="w"> </span><span class="o">[</span><span class="m">1</span>/2<span class="o">]</span><span class="w"> </span><span class="o">(</span><span class="m">1</span><span class="o">)</span>:
</pre></div>
</div>
</div>
Expand Down Expand Up @@ -824,8 +823,7 @@ <h3>Our first module<a class="headerlink" href="#our-first-module" title="Link t
View the module (<code class="docutils literal notranslate"><span class="pre">functions.py</span></code>) in a text editor.
We see a few things about this file.
The top begins with a description of this module surrounded by three quotations (<code class="docutils literal notranslate"><span class="pre">&quot;&quot;&quot;</span></code>).
Right now, that is the file name, followed by our short description,
then the sentence “Handles the primary functions”.
Right now, that is the sentence “Provides the primary functions”.
We will change this to be more descriptive later.
CookieCutter has also created a placeholder function called <code class="docutils literal notranslate"><span class="pre">canvas</span></code>.
At the start of the <code class="docutils literal notranslate"><span class="pre">canvas</span></code> function, we have a <code class="docutils literal notranslate"><span class="pre">docstring</span></code> (more about this in [documentation]),
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2 changes: 1 addition & 1 deletion 04-function-style.html
Original file line number Diff line number Diff line change
Expand Up @@ -555,7 +555,7 @@ <h2>Editing a function in our package<a class="headerlink" href="#editing-a-func
</div>
<p>If we want to test our function, we require a pdb file.
The workshop materials downloaded during the setup include a set of pdb examples.
These are found in <code class="docutils literal notranslate"><span class="pre">molssi_beter_practices/starting_material/data/pdb/</span></code>.
These are found in <code class="docutils literal notranslate"><span class="pre">molssi_best_practices/starting_material/data/pdb/</span></code>.
We want to store these files in our <code class="docutils literal notranslate"><span class="pre">molecool</span></code> directory.
Luckily, <code class="docutils literal notranslate"><span class="pre">cookiecutter</span></code> created a folder designed specifically for that purpose.
The folder is in <code class="docutils literal notranslate"><span class="pre">molecool/data/</span></code>.
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10 changes: 4 additions & 6 deletions _sources/01-package-setup.md.txt
Original file line number Diff line number Diff line change
Expand Up @@ -103,19 +103,18 @@ Select open_source_license:
2 - BSD-3-Clause
3 - LGPLv3
4 - Not Open Source
Choose from 1, 2, 3, 4 (1, 2, 3, 4) [1]: 2
Choose from [1/2/3/4] (1):

Select dependency_source:
1 - Prefer conda-forge with pip fallback
2 - Prefer default anaconda channel with pip fallback
3 - Dependencies from pip only (no conda)

Choose from 1, 2, 3 (1, 2, 3) [1]:
Choose from [1/2/3] (1):

Select include_ReadTheDocs:
1 - y
2 - n
Choose from 1, 2 (1, 2) [1]:
Choose from [1/2] (1):
```

````
Expand Down Expand Up @@ -355,8 +354,7 @@ Once inside the `molecool` folder (`molecool/molecool`), examine the files that
View the module (`functions.py`) in a text editor.
We see a few things about this file.
The top begins with a description of this module surrounded by three quotations (`"""`).
Right now, that is the file name, followed by our short description,
then the sentence "Handles the primary functions".
Right now, that is the sentence "Provides the primary functions".
We will change this to be more descriptive later.
CookieCutter has also created a placeholder function called `canvas`.
At the start of the `canvas` function, we have a `docstring` (more about this in [documentation]),
Expand Down
2 changes: 1 addition & 1 deletion _sources/04-function-style.md.txt
Original file line number Diff line number Diff line change
Expand Up @@ -61,7 +61,7 @@ def open_pdb(f_loc):

If we want to test our function, we require a pdb file.
The workshop materials downloaded during the setup include a set of pdb examples.
These are found in `molssi_beter_practices/starting_material/data/pdb/`.
These are found in `molssi_best_practices/starting_material/data/pdb/`.
We want to store these files in our `molecool` directory.
Luckily, `cookiecutter` created a folder designed specifically for that purpose.
The folder is in `molecool/data/`.
Expand Down
2 changes: 1 addition & 1 deletion searchindex.js

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