diff --git a/openff/evaluator/layers/layers.py b/openff/evaluator/layers/layers.py index 581c5851..92d260e5 100644 --- a/openff/evaluator/layers/layers.py +++ b/openff/evaluator/layers/layers.py @@ -5,7 +5,6 @@ import abc import collections import logging -import math from os import path from openff.units import unit @@ -306,9 +305,6 @@ def _process_results(results_future, batch, layer_name, storage_backend, callbac returned_output.physical_property.__class__.__name__ ][layer_name] - input_uncertainty = matches[0].uncertainty - if input_uncertainty == UNDEFINED: - input_uncertainty = math.inf * matches[0].value.unit if ( options.absolute_tolerance != UNDEFINED and options.absolute_tolerance < uncertainty @@ -316,7 +312,7 @@ def _process_results(results_future, batch, layer_name, storage_backend, callbac continue elif ( options.relative_tolerance != UNDEFINED - and options.relative_tolerance * input_uncertainty < uncertainty + and options.relative_tolerance * uncertainty < uncertainty ): continue