add docs and fix test

.binder/environment.yml

@@ -6,6 +6,7 @@ dependencies:
   - python==3.10
   - openmm
   - openff-toolkit
+  - openmmforcefields
   - pip:
     - toff
     - requests

.github/workflows/tests.yml

@@ -28,7 +28,7 @@ jobs:
         conda-channels: anaconda, conda-forge
     - name: Install dependencies from conda
       run: |
-        conda install -y -c conda-forge openmm openff-toolkit
+        conda install -y -c conda-forge openmm openff-toolkit openmmforcefields
     - name: Install pip dependencies and toff on test mode
       run: |
         python -m pip install --upgrade pip
@@ -66,7 +66,7 @@ jobs:
         conda-channels: anaconda, conda-forge
     - name: Install dependencies from conda
       run: |
-        conda install -y -c conda-forge openmm openff-toolkit
+        conda install -y -c conda-forge openmm openff-toolkit openmmforcefields
     - name: Install pip dependencies and toff on test mode
       run: |
         python -m pip install --upgrade pip

README.rst

@@ -26,7 +26,10 @@ TOFF
 Description
 -----------
 
-**TOFF** (Topologies from OpenFF) is a python package to get topologies from the OpenFF initiative. It was strongly inspired in this `Aniket's script <https://github.com/aniketsh/OpenFF/blob/82a2b5803e36b72f3525e3b8631cf256fbd8e35a/openff_topology.py>`__.
+**TOFF** (Topologies from OpenFF) is a python package initially developed to get topologies from the OpenFF initiative.
+It was strongly inspired in this `Aniket's script <https://github.com/aniketsh/OpenFF/blob/82a2b5803e36b72f3525e3b8631cf256fbd8e35a/openff_topology.py>`__.
+Since version `0.1.0`_ it is alos possible to get `GAFF`_ and `Espaloma`_ parameters by using `EspalomaTemplateGenerator`_ and `GAFFTemplateGenerator`__
+from `openmmforcefields.generators`_.
 
 
 You can try it out prior to any installation on `Binder <https://mybinder.org/v2/gh/ale94mleon/TOFF/HEAD?labpath=%2Fdocs%2Fnotebooks%2F>`__.

docs/source/api.rst

@@ -10,6 +10,8 @@ a very active initiative and a perfect tool to get rid of these problems. Their
 are constantly under update. These force fields use the SMIRKS Native Open Force Field (SMIRNOFF) format, which helps to reach a wide number of chemical
 structures.
 
+Since version `0.1.0`_ it is also possible to get GAFF and Espaloma force field parameters
+
 **TOFF** is python module but also have a friendly command line interface.
 The main class to work with is :meth:`toff.utils.Parameterize`. Examples on how to use both interface: as a module and as a command line are found in the ``Tutorials`` section