From d43dafa7d88501d4d271b842b7f89e4ffc62264b Mon Sep 17 00:00:00 2001 From: tjkessler Date: Wed, 22 Jan 2025 19:53:54 -0500 Subject: [PATCH 1/2] Add quotes to typehints, plays nicer with rdkit --- graphchem/preprocessing/features.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/graphchem/preprocessing/features.py b/graphchem/preprocessing/features.py index 900566d..08c9f59 100644 --- a/graphchem/preprocessing/features.py +++ b/graphchem/preprocessing/features.py @@ -7,7 +7,7 @@ def get_ring_size( - obj: Union[rdkit.Chem.Atom, rdkit.Chem.Bond], + obj: Union["rdkit.Chem.Atom", "rdkit.Chem.Bond"], max_size: Optional[int] = 12 ) -> int: """ @@ -35,7 +35,7 @@ def get_ring_size( return max_size -def atom_to_str(atom: rdkit.Chem.Atom) -> str: +def atom_to_str(atom: "rdkit.Chem.Atom") -> str: """ Convert an RDKit Atom object to a string representation. @@ -82,7 +82,7 @@ def atom_to_str(atom: rdkit.Chem.Atom) -> str: )) -def bond_to_str(bond: rdkit.Chem.Bond) -> str: +def bond_to_str(bond: "rdkit.Chem.Bond") -> str: """ Convert an RDKit Bond object to a string representation. From ab0fe77c4a5e19631095ee3cf7bf06e0a58b66b5 Mon Sep 17 00:00:00 2001 From: tjkessler Date: Wed, 22 Jan 2025 19:54:09 -0500 Subject: [PATCH 2/2] Version bump: 2.3.1 -> 2.3.2 --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 14f2ca7..a74e929 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -7,7 +7,7 @@ include-package-data = true [project] name = "graphchem" -version = "2.3.1" +version = "2.3.2" authors = [ { name="Travis Kessler", email="travis.j.kessler@gmail.com" }, ]