NIST retention indices

[Aariq]

Pull Request

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This adds a function, get_RI() to scrape retention indices from webbook.nist.gov given a vector of CAS numbers. It returns a single table with rows for each entry of each CAS number. It's then easy to filter, summarize, extract single rows, etc. I haven't added tests because I'm not familiar with testthat. I'd be happy to learn, but I don't have time for the next few weeks.
I also know you want to keep dependencies to a minimum, so please let me know if I need to get rid of dependencies to purrr and stringr since I don't think webchem already uses those. I can probably translate to base R without too much difficulty.

myRIs <- get_RI(cas = c("78-70-6", "873-94-9", "13474-59-4"), type = "linear", polarity = "non-polar", temp_prog = "ramp")

PR task list:

• Update NEWS
• Add tests (if appropriate)
• Update documentation with devtools::document()
• Check package passed

[codecov-io]

Codecov Report

Merging #154 into master will not change coverage.
The diff coverage is 0%.

@@          Coverage Diff          @@
##           master   #154   +/-   ##
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  Coverage       0%     0%           
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  Files          17     18    +1     
  Lines        1567   1665   +98     
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- Misses       1567   1665   +98

Impacted Files	Coverage Δ
R/NIST.R	0% <0%> (ø)

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[eduardszoecs]

Thanks for your contribution!

I'll merge ASAP, add tests and clean it a bit (I might also change the function name).
Timewise, I'll be able to do so later this week! (Also busy with job).

[eduardszoecs]

Didn't have time these week. On my table for the next 3 days...

[eduardszoecs]

• merge into dev_nist
• cleanup code
• updated documentation
• add tests
• check
• merge into master
• merge into tests
• Check CI
• Check coverage

Thanks @Aariq for your contribution. Now merged into master (all tests pass)

Note that I

1. renamed to get_ri()
2. did basic cleanup
3. added you as contributor to the readme
4. added tests
5. updated documentation on your function

[Aariq]

Yay! Thanks for helping with those last few steps. You could even name it nist_ri(). I noticed the section in your contribution guidelines about naming functions only after the pull request, and I'm not particularly tied to get_ri() for any reason.

[eduardszoecs]

renamed.