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search for RIs by name, inchi, or inchikey in addition to CAS #232
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Codecov Report
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## master #232 +/- ##
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Coverage 0.00% 0.00%
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Files 19 19
Lines 1611 1672 +61
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- Misses 1611 1672 +61
Continue to review full report at Codecov.
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You know, I just realized I changed the scrape delay, but never tested this on large numbers of queries. Let me do some testing and see if I don't get my IP banned before merging this PR |
…ing search both result in consistent output now.
Ok, fixed it up so it works with NAs better. New tests are all passing locally. |
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Thanks @Aariq, this is great! Most of my comments were on the same topic, which is coding stye when connecting to other packages. I am not sure which is the best way to do this, but I see that we are not consistent within the package. @import
, @importFrom
, package::function()
, what do you think?
I know I added v0.6.0 to NEWS.md
but maybe it would be better to return to incrementing the version number with each PR, 0.5.1, 0.5.2, etc? http://r-pkgs.had.co.nz/release.html.
I ran R CMD check locally and it succeeded. |
This PR mainly addresses #219. It adds the ability to search for retention indices from NIST using InChI, InChIkey, or compound name.
Bugs fixed:
Dependencies added:
polite
. I switchednist_ri()
to use if for web scraping and I quite like using it, but I'm happy to remove this dependency if you don't like it.rlang
. I did a few things withrlang
that I do not know how to do otherwise.tibble
. I switched the output to a tibble rather than a data.frame.I'm not sure why so much of the README changed. It looks like maybe it just didn't get re-built with some previous PRs.
PR task list:
devtools::document()