deploy: 20eb23b

_sources/index.rst.txt

@@ -23,10 +23,18 @@ Welcome to the NistChemPy's documentation!
 
 **NistChemPy** is an unofficial API for the `NIST Chemistry WebBook`_.
 This package not only automates the search and data extraction processes but also bypasses the WebBook's limitation of 400 compounds per search.
-Currently, NistChemPy enables the extraction of basic compound properties as well as IR, THz, MS, and UV-Vis spectra.
+Currently, **NistChemPy** enables the extraction of basic compound properties as well as IR, THz, MS, and UV-Vis spectra.
 Additional properties are available via URLs that link to their respective web pages, with potential support for direct extraction in future updates.
 
 
+Extracted data
+==============
+
+Before using **NistChemPy**, please check `NistChemData`_.
+This repository contains information that has already been extracted from the WebBook using **NistChemPy** functionality.
+By doing so, you can bypass the web-scraping stage and proceed directly to data manipulation.
+
+
 Installation
 ============
 
@@ -56,8 +64,9 @@ Useful links
 
 1. `NIST Chemistry WebBook`_: webapp accessing the NIST Chemistry WebBook database.
 2. `GitHub`_: GitHub page of the package.
-3. `PyPI package`_: PyPI page of the package.
-4. `Update tools`_: script for semi-automatic update of structural information of new NIST Chemistry WebBook compounds.
+3. `NistChemData`_: Repository containing already extracted WebBook's data.
+4. `PyPI package`_: PyPI page of the package.
+5. `Update tools`_: script for semi-automatic update of structural information of new NIST Chemistry WebBook compounds.
 
 
 Indices and tables
@@ -68,6 +77,7 @@ Indices and tables
 
 
 
+.. _NistChemData: https://github.com/IvanChernyshov/NistChemData
 .. _NIST Chemistry WebBook: https://webbook.nist.gov/chemistry/
 .. _GitHub: https://github.com/IvanChernyshov/NistChemPy
 .. _PyPI package: https://pypi.org/project/nistchempy/

_sources/source/changelog.rst.txt

@@ -1,6 +1,18 @@
 Changelog
 =========
 
+1.0.2
+-----
+
+* Adds c.a. 10 000 of missing InChI strings to the pre-saved data on compounds (:py:func:`nistchempy.compound_list.get_all_data`).
+
+* Fixes bug in update resulted in c.a. 10 000 of missing InChI strings.
+
+* Fixes chemical formula parser.
+
+* Adds reference to repo containing data extracted from NIST Chemistry WebBook (`NistChemData <https://github.com/IvanChernyshov/NistChemData>`_).
+
+
 1.0.1
 -----
 

index.html

@@ -90,8 +90,14 @@ <h1>Welcome to the NistChemPy’s documentation!<a class="headerlink" href="#wel
 </div>
 <p><strong>NistChemPy</strong> is an unofficial API for the <a class="reference external" href="https://webbook.nist.gov/chemistry/">NIST Chemistry WebBook</a>.
 This package not only automates the search and data extraction processes but also bypasses the WebBook’s limitation of 400 compounds per search.
-Currently, NistChemPy enables the extraction of basic compound properties as well as IR, THz, MS, and UV-Vis spectra.
+Currently, <strong>NistChemPy</strong> enables the extraction of basic compound properties as well as IR, THz, MS, and UV-Vis spectra.
 Additional properties are available via URLs that link to their respective web pages, with potential support for direct extraction in future updates.</p>
+<section id="extracted-data">
+<h2>Extracted data<a class="headerlink" href="#extracted-data" title="Link to this heading"></a></h2>
+<p>Before using <strong>NistChemPy</strong>, please check <a class="reference external" href="https://github.com/IvanChernyshov/NistChemData">NistChemData</a>.
+This repository contains information that has already been extracted from the WebBook using <strong>NistChemPy</strong> functionality.
+By doing so, you can bypass the web-scraping stage and proceed directly to data manipulation.</p>
+</section>
 <section id="installation">
 <h2>Installation<a class="headerlink" href="#installation" title="Link to this heading"></a></h2>
 <p><strong>NistChemPy</strong> can be installed as a <a class="reference external" href="https://pypi.org/project/nistchempy/">PyPI package</a>:</p>
@@ -114,6 +120,7 @@ <h2>Useful links<a class="headerlink" href="#useful-links" title="Link to this h
 <ol class="arabic simple">
 <li><p><a class="reference external" href="https://webbook.nist.gov/chemistry/">NIST Chemistry WebBook</a>: webapp accessing the NIST Chemistry WebBook database.</p></li>
 <li><p><a class="reference external" href="https://github.com/IvanChernyshov/NistChemPy">GitHub</a>: GitHub page of the package.</p></li>
+<li><p><a class="reference external" href="https://github.com/IvanChernyshov/NistChemData">NistChemData</a>: Repository containing already extracted WebBook’s data.</p></li>
 <li><p><a class="reference external" href="https://pypi.org/project/nistchempy/">PyPI package</a>: PyPI page of the package.</p></li>
 <li><p><a class="reference external" href="https://github.com/IvanChernyshov/NistChemPy/tree/main/update">Update tools</a>: script for semi-automatic update of structural information of new NIST Chemistry WebBook compounds.</p></li>
 </ol>