From d35a4b53a9399b3c5f312cc7dfeda1990038b398 Mon Sep 17 00:00:00 2001 From: "Matthew W. Thompson" Date: Tue, 27 Aug 2024 14:22:16 -0500 Subject: [PATCH] MAINT: Remove `openff-models` from tooling --- devtools/conda-envs/beta_env.yaml | 1 - devtools/conda-envs/docs_env.yaml | 1 - docs/using/plugins.md | 4 ++-- 3 files changed, 2 insertions(+), 4 deletions(-) diff --git a/devtools/conda-envs/beta_env.yaml b/devtools/conda-envs/beta_env.yaml index cccf3cfb0..f6c952343 100644 --- a/devtools/conda-envs/beta_env.yaml +++ b/devtools/conda-envs/beta_env.yaml @@ -11,7 +11,6 @@ dependencies: - openmm >=7.6 # OpenFF stack - openff-toolkit ~=0.16.4 - - openff-models - openff-nagl ~=0.3.7 - openff-nagl-models =0.1 # Optional features diff --git a/devtools/conda-envs/docs_env.yaml b/devtools/conda-envs/docs_env.yaml index bad1fe498..260cfc5c3 100644 --- a/devtools/conda-envs/docs_env.yaml +++ b/devtools/conda-envs/docs_env.yaml @@ -9,7 +9,6 @@ dependencies: - numpy =1 - pydantic =2 - openff-toolkit-base ~=0.16.4 - - openff-models - openmm =8 - mbuild - foyer =1 diff --git a/docs/using/plugins.md b/docs/using/plugins.md index b302e684f..2ace5953d 100644 --- a/docs/using/plugins.md +++ b/docs/using/plugins.md @@ -217,7 +217,7 @@ At this point, we have created a class that can parse sections of a custom OFFXM from openff.toolkit import Topology from typing import Literal, Type -from openff.models.types import FloatQuantity +from openff.interchange._annotations import DistanceQuantity from openff.interchange.smirnoff._nonbonded import _SMIRNOFFNonbondedCollection from openff.interchange.components.potentials import Potential @@ -231,7 +231,7 @@ class SMIRNOFFBuckinghamCollection(_SMIRNOFFNonbondedCollection): mixing_rule: str = "Buckingham" - switch_width: FloatQuantity["angstrom"] = unit.Quantity(1.0, unit.angstrom) + switch_width: DistanceQuantity = unit.Quantity(1.0, unit.angstrom) @classmethod def allowed_parameter_handlers(cls):