diff --git a/.readthedocs.yml b/.readthedocs.yml index 5a64830..bb7b2be 100644 --- a/.readthedocs.yml +++ b/.readthedocs.yml @@ -11,6 +11,11 @@ build: python: "3.11" jobs: post_install: + - sudo apt-get update + - sudo apt-get install -y software-properties-common + - sudo apt-get update -y + - sudo apt-get install -y openjdk-11-jre + - export JAVA_HOME=/usr/lib/jvm/java-11-openjdk-amd64/ - python -m pip install --no-deps -r docs/extra-requirements.txt # Build documentation in the "docs/" directory with Sphinx diff --git a/app/modules/all_descriptors.py b/app/modules/all_descriptors.py index 5ef9ca4..a4588af 100644 --- a/app/modules/all_descriptors.py +++ b/app/modules/all_descriptors.py @@ -287,12 +287,11 @@ def get_tanimoto_similarity(smileslist: str, toolkit: str = "cdk") -> list: Args: smileslist (str): A comma-separated list of SMILES strings. toolkit (str, optional): The toolkit to use for calculating similarity. - Can be "cdk" (Chemistry Development Kit) or "rdkit" (RDKit). - Defaults to "cdk". + Can be "cdk" (Chemistry Development Kit) or "rdkit" (RDKit).Defaults to "cdk". Returns: list: A matrix containing Tanimoto similarity scores. - Rows and columns correspond to SMILES strings in the input list. + Rows and columns correspond to SMILES strings in the input list. Raises: ValueError: If an unsupported toolkit is provided. diff --git a/docs/tools.rst b/docs/tools.rst index 5f9e3ac..4258f16 100644 --- a/docs/tools.rst +++ b/docs/tools.rst @@ -10,7 +10,7 @@ app.modules.tools.surge module :show-inheritance: app.modules.tools.sugar_removal module -------------------------------------- +-------------------------------------- .. automodule:: app.modules.tools.sugar_removal :members: