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Fix #364 #368

Merged
merged 1 commit into from
Aug 26, 2021
Merged

Fix #364 #368

merged 1 commit into from
Aug 26, 2021

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SimonBoothroyd
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Description

Fixes #364. @lilyminium could you confirm whether this change fixes the error you were seeing?

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  • Ready to go

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codecov bot commented Aug 25, 2021

Codecov Report

Merging #368 (aa908e3) into master (976cf1e) will not change coverage.
The diff coverage is 0.00%.

@lilyminium
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It does! Thank you!

>>> ThermoMLDataSet.from_doi("10.1021/je025641j")
Warning: Failed to parse name: GRAPHITE
RDKit WARNING: [17:53:49] WARNING: not removing hydrogen atom without neighbors
[17:53:49] WARNING: not removing hydrogen atom without neighbors

<PhysicalPropertyDataSet n_properties=3 n_substances=3 n_sources=1>

@SimonBoothroyd SimonBoothroyd merged commit 9375c17 into master Aug 26, 2021
@SimonBoothroyd SimonBoothroyd deleted the catch-iupac-parse-error branch August 26, 2021 08:24
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[Request] Add try/except to parsing _Compound.from_xml_node
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