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Compute correct HuLuIndex values and add a test case for a closed bug… #832

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merged 3 commits into from Feb 14, 2022

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johnmay
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@johnmay johnmay commented Feb 8, 2022

… that still existed.

Fixes #737 and #830.

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johnmay commented Feb 8, 2022

We closed #737 accidentally it seems - I remember there was some other bug with it though so managed to track it down.

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* Copyright (c) 2022 NextMove Software
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Copyright NextMove is fine. Please use the common format with the license, tho.

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Yes sorry just the default in the IDE :-)

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egonw commented Feb 9, 2022

@rajarshi, may I invite you to have a quick look at this patch too?

@egonw egonw requested review from rajarshi and egonw February 9, 2022 07:19
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Looks good - nothing obvious jumped out to me

@egonw egonw self-requested a review February 14, 2022 05:21
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@johnmay, okay, the code is good to go, but there is a now a conflict. I had a quick look, but I think it's better you resolve it, since you have your conflicting (code clean up) patch fresh in your mind.

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egonw commented Feb 14, 2022

Looks good - nothing obvious jumped out to me

thanks!

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johnmay commented Feb 14, 2022

Will rebase

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johnmay commented Feb 14, 2022

Okay rebased - should be good but will wait for build

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sonarcloud bot commented Feb 14, 2022

Kudos, SonarCloud Quality Gate passed!    Quality Gate passed

Bug A 0 Bugs
Vulnerability A 0 Vulnerabilities
Security Hotspot A 0 Security Hotspots
Code Smell A 0 Code Smells

0.0% 0.0% Coverage
0.0% 0.0% Duplication

@johnmay johnmay merged commit ba7ae81 into master Feb 14, 2022
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out of memory when getting weights from molecule consisting of chloridehydrochloride salts
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