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added runit.mass.R #87
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updating to Rajarshi's rearrangements
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I have added the basis for unit tests for all functions for a few major cases but commented out all the (many) tests that are currently generating NPEs
This reverts commit 6eafaf1 and other changes
Added formula tests - note that there are different NPEs and also inconsistent masses returned! See comments.
I've reverted the incorrect changes (didn't realise they came all the way through to here automatically) and added some unit tests for the molecular formulas. |
fixed comment in wrong location
As for previous unit tests, I've commented out the ones that are either returning NPE or incorrect/inconsistent values (and just fixed a wrong NPE annotation). |
Interesting, I definitely directed all the runit.mass.R changes into your massfuncs branch my side...
On Tue, Nov 13, 2018 at 3:59 AM +0100, "Rajarshi Guha" <notifications@github.com<mailto:notifications@github.com>> wrote:
Unfortunately, this pull request is for master which doesn't have the get.mass function
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Sorry, my bad - it was for the |
I have added the basis for unit tests for all functions for a few major cases but commented out all the (many) tests that are currently generating NPEs