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Revert "Revert "add fix""
This reverts commit 79a8bea.
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openff/evaluator/layers/layers.py

Lines changed: 5 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -5,6 +5,7 @@
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import abc
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import collections
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import logging
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import math
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from os import path
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from openff.units import unit
@@ -305,14 +306,17 @@ def _process_results(results_future, batch, layer_name, storage_backend, callbac
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returned_output.physical_property.__class__.__name__
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][layer_name]
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input_uncertainty = matches[0].uncertainty
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if input_uncertainty == UNDEFINED:
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input_uncertainty = math.inf * matches[0].value.unit
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if (
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options.absolute_tolerance != UNDEFINED
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and options.absolute_tolerance < uncertainty
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):
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continue
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elif (
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options.relative_tolerance != UNDEFINED
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and options.relative_tolerance * uncertainty < uncertainty
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and options.relative_tolerance * input_uncertainty < uncertainty
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):
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continue
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