option in get_csid() to return named vector rather than list

[Aariq]

Other cs_*() functions take vectors of IDs, so the current implementation of get_csid() doesn't play nice with them when looking for results for more than one compound.

library(webchem)
apikey <- <secret>
(ids <- get_csid(c('Triclosan', "hexane"), apikey = apikey))
#> $Triclosan
#> [1] 5363
#> 
#> $hexane
#> [1] 7767
# cs_compinfo(ids, fields = c("Formula", "MolecularWeight"), apikey = apikey) #errors
cs_compinfo(c(5363, 7767), fields = c("Formula", "MolecularWeight"), apikey = apikey)
#>     id                formula molecularWeight
#> 1 5363 C_{12}H_{7}Cl_{3}O_{2}        289.5418
#> 2 7767            C_{6}H_{14}         86.1754

[Aariq]

Once fixed, the example in the README should get updated too.

[Aariq]

Oh, hmm.. I didn't realize compounds can have multiple csid's. Maybe an alternate solution is to have an optional first = TRUE argument that returns a vector with only one ID per query.

[Aariq]

I think that's fine. We might want to fix the README though. Right now there is code in the ChemSpider section that is commented out because it was throwing errors.

…

On Thu, Jan 23, 2020 at 4:48 PM Tamás Stirling ***@***.***> wrote: @Aariq <https://github.com/Aariq> do you agree that we can postone this issue for v0.6.0? — You are receiving this because you were mentioned. Reply to this email directly, view it on GitHub <#191?email_source=notifications&email_token=AGB2K34DY27G2ABAOCNQXLDQ7IGBHA5CNFSM4KEOWSX2YY3PNVWWK3TUL52HS4DFVREXG43VMVBW63LNMVXHJKTDN5WW2ZLOORPWSZGOEJY7B6I#issuecomment-577892601>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AGB2K33TX6L3GMNASFPRIULQ7IGBHANCNFSM4KEOWSXQ> .

[Aariq]

I'm closing this for now because the README is fixed and we haven't settled on a consistent output for get_* functions. (see #193)