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ACers do not work on species level #16

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dernesa opened this issue May 25, 2022 · 6 comments
Closed

ACers do not work on species level #16

dernesa opened this issue May 25, 2022 · 6 comments
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@dernesa
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dernesa commented May 25, 2022

Hi gosling Team,

I have one more: I get an error, when trying to provide a Acylceramide string.

Thank you for your help!

library(rgoslin)


# Working
parseLipidNames("Cer 36:1;2")[[1]]
#> [1] "Cer 36:1;O2"
parseLipidNames("Cer 67:2;2")[[1]]
#> [1] "Cer 67:2;O2"
# Not working
parseLipidNames("ACer 67:2;2")[[1]]
#> Encountered an error while parsing 'ACer 67:2;2': Expecting a single string value: [type=character; extent=4].
#> [1] NA

Created on 2022-05-25 by the reprex package (v2.0.1)

Session info
sessioninfo::session_info()
#> ─ Session info ───────────────────────────────────────────────────────────────
#>  setting  value
#>  version  R version 4.1.3 (2022-03-10)
#>  os       macOS Monterey 12.4
#>  system   aarch64, darwin20
#>  ui       X11
#>  language (EN)
#>  collate  en_US.UTF-8
#>  ctype    en_US.UTF-8
#>  tz       Europe/Berlin
#>  date     2022-05-25
#>  pandoc   2.17.1.1 @ /Applications/RStudio.app/Contents/MacOS/quarto/bin/ (via rmarkdown)
#> 
#> ─ Packages ───────────────────────────────────────────────────────────────────
#>  package     * version date (UTC) lib source
#>  assertthat    0.2.1   2019-03-21 [2] CRAN (R 4.1.0)
#>  cli           3.3.0   2022-04-25 [2] CRAN (R 4.1.1)
#>  crayon        1.5.1   2022-03-26 [2] CRAN (R 4.1.1)
#>  DBI           1.1.2   2021-12-20 [2] CRAN (R 4.1.1)
#>  digest        0.6.29  2021-12-01 [2] CRAN (R 4.1.1)
#>  dplyr         1.0.9   2022-04-28 [2] CRAN (R 4.1.1)
#>  ellipsis      0.3.2   2021-04-29 [2] CRAN (R 4.1.0)
#>  evaluate      0.15    2022-02-18 [2] CRAN (R 4.1.1)
#>  fansi         1.0.3   2022-03-24 [2] CRAN (R 4.1.1)
#>  fastmap       1.1.0   2021-01-25 [2] CRAN (R 4.1.0)
#>  fs            1.5.2   2021-12-08 [2] CRAN (R 4.1.1)
#>  generics      0.1.2   2022-01-31 [2] CRAN (R 4.1.1)
#>  glue          1.6.2   2022-02-24 [2] CRAN (R 4.1.1)
#>  highr         0.9     2021-04-16 [2] CRAN (R 4.1.0)
#>  htmltools     0.5.2   2021-08-25 [2] CRAN (R 4.1.1)
#>  knitr         1.39    2022-04-26 [2] CRAN (R 4.1.1)
#>  lifecycle     1.0.1   2021-09-24 [2] CRAN (R 4.1.1)
#>  magrittr      2.0.3   2022-03-30 [2] CRAN (R 4.1.1)
#>  pillar        1.7.0   2022-02-01 [2] CRAN (R 4.1.1)
#>  pkgconfig     2.0.3   2019-09-22 [2] CRAN (R 4.1.0)
#>  purrr         0.3.4   2020-04-17 [2] CRAN (R 4.1.0)
#>  R6            2.5.1   2021-08-19 [2] CRAN (R 4.1.1)
#>  Rcpp          1.0.8.3 2022-03-17 [2] CRAN (R 4.1.1)
#>  reprex        2.0.1   2021-08-05 [2] CRAN (R 4.1.1)
#>  rgoslin     * 1.0.1   2022-05-20 [1] Github (lifs-tools/rgoslin@b449c41)
#>  rlang         1.0.2   2022-03-04 [2] CRAN (R 4.1.1)
#>  rmarkdown     2.14    2022-04-25 [2] CRAN (R 4.1.1)
#>  rstudioapi    0.13    2020-11-12 [2] CRAN (R 4.1.0)
#>  sessioninfo   1.2.2   2021-12-06 [2] CRAN (R 4.1.1)
#>  stringi       1.7.6   2021-11-29 [2] CRAN (R 4.1.1)
#>  stringr       1.4.0   2019-02-10 [2] CRAN (R 4.1.1)
#>  tibble        3.1.7   2022-05-03 [2] CRAN (R 4.1.1)
#>  tidyselect    1.1.2   2022-02-21 [2] CRAN (R 4.1.1)
#>  utf8          1.2.2   2021-07-24 [2] CRAN (R 4.1.0)
#>  vctrs         0.4.1   2022-04-13 [2] CRAN (R 4.1.1)
#>  withr         2.5.0   2022-03-03 [2] CRAN (R 4.1.1)
#>  xfun          0.31    2022-05-10 [2] CRAN (R 4.1.1)
#>  yaml          2.3.5   2022-02-21 [2] CRAN (R 4.1.1)
#> 
#>  [1] /Users/gerl/Library/R/arm64/4.1/library
#>  [2] /Library/Frameworks/R.framework/Versions/4.1-arm64/Resources/library
#> 
#> ──────────────────────────────────────────────────────────────────────────────
@dominik-kopczynski
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Hi Mathias,

Thank you very much for your support and pinpointing of issues :-) I will take care of that.

Cheers,
Dominik

@dominik-kopczynski dominik-kopczynski self-assigned this May 27, 2022
@dernesa
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dernesa commented Jun 16, 2022

Hi Dominik,
any progress on this issue?
Thank you!
Mathias

@nilshoffmann
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nilshoffmann commented Jun 16, 2022 via email

@dominik-kopczynski
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Hi Mathias,
sorry forgot completely to look at the issue. At first glance, I see that you are writing ACer 67:2;2. This corresponds to the old nomenclature, where we didn't support ACers. When you use the new nomenclature, i.e., ACer(FA) 67:2;O2 or simply ACer 67:2;O2, it should work. When using the new nomenclature is no option for you, of course, I would implement ACers into the old nomenclature.
Cheers,
Dominik

@dernesa
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dernesa commented Jun 17, 2022

Hi Dominik and Nils,
Thank you for the fix!
I installed from Github and I can work with this now! :-)

@dominik-kopczynski
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That's great :-) Thank you once again for the support. Cheers

nilshoffmann added a commit that referenced this issue Apr 12, 2024
58837eae Merge pull request #16 from lifs-tools/alpine-linux
f5cb5f7f Updated imports
be05b436 Added explicit imports for cstdint and vector
6449f0d8 Merge commit '3892beb34cf318d5e878b565b5f4e802c87858c5'
cb6fcc8e adding more mediator support
3892beb3 adding more trivial mediator names
9329952d Merge commit '48ebc1d373919475f619a0f93852db4efd1e950f'
48ebc1d3 updating grammars
e4cdf628 added lyso galsph glcsph
9ad782e2 Merge commit '37fa28110479dc9e74f8589cc381bebd9e27d01b'
37fa2811 fixed typo in trivial list
8b841231 Merge commit '8c58c13573c8993b48d9f59857b33bbec7cabe88'
8c58c135 adding more HDoHE support
fab15338 more prostaglandins support
3af50808 Merge commit 'cdf1bbf5c3f9495e1bd6a6b7cdf6e4a8246b70f9'
ce56b4b3 adding even more support for oxylipins
cdf1bbf5 adding more support for oxylipins
8e2231d4 added triH
1a161caa Merge commit '93058c0c53af43484158666f7667e412533900dc'
93058c0c updated tri hydro information
fd0bd7f6 bug fixing on recursive function
a54eb4ed added ARA
c66a6549 Merge commit '3759dba1db3f35ecbd676122d2dd6a0cb5142f95'
615bd4b0 updated prostaglandins
3759dba1 updated trivial list
e8a8ce3f Merge commit 'b9cd9277ccb82b64f1bb43b77db6f39468e7f606'
b9cd9277 added more support for oxylipins
649656c6 Merge commit '9946c54034cd8ffea235abfc28b79822690d5795'
9946c540 adding more oxolipins
bd1d4ca4 updated unit tests
09932b8e Merge commit '9437c99f889d4bf246ca7d1e20857ccbb36a3603'
9437c99f updated trivial mediator table
61bdbb5e updated trivial mediators
abcbd041 Merge commit 'd2ba69537010f6720d3ec2426e96c8ed71d69f67'
d2ba6953 added more trivial mediator dbs
f9d048bd added trivial mediator double bond information
ca7df904 Merge commit 'a3af90548efdd6383114521c9e2b7a3cebf68f01'
a3af9054 adding trivial mediator db information

git-subtree-dir: src/cppgoslin
git-subtree-split: 58837eaeeb4e2283f7b7409a647d02a81fa67889
dominik-kopczynski added a commit that referenced this issue May 16, 2024
961e8c8be Merge commit 'e0f3137431623854b52a7568dba72ec58da02619'
e0f313743 fixed goslin grammar bug
0c2f9ca87 fixed bug in swiss lipids parser
61998abaa Merge commit '7b30fe942bb98b66545ff3013de0a1991d79b43c'
7dd3be673 adding gangliosides
7b30fe942 fixed typo
c57aa05a5 added several gangliosides
84d02c131 added several gangliosides
75a686435 preparing to add several gangliosides
c96be5dde Merge commit '5e7635b1cc0161b090f852f83e56d4ac37c2b5ce'
c33d40b42 Merge branch 'master' of github.com:lifs-tools/cppgoslin
5e7635b1c updated sterol definitions
72bbdd1d1 updated sterol behavor
9ae628553 updated lipid list
3f54dec0d update on lipid list
7ec824570 lipid abbrev. update
097c0d897 added weird point separation pattern
e5f19f28a Merge pull request #17 from lifs-tools/alpine-linux2
534889d21 Added missing cstdint include
58837eaee Merge pull request #16 from lifs-tools/alpine-linux
f5cb5f7f2 Updated imports
be05b4368 Added explicit imports for cstdint and vector
8da0a957e adding LGlcCer and LGalCer
6449f0d84 Merge commit '3892beb34cf318d5e878b565b5f4e802c87858c5'
cb6fcc8ea adding more mediator support
3892beb34 adding more trivial mediator names
9329952d1 Merge commit '48ebc1d373919475f619a0f93852db4efd1e950f'
48ebc1d37 updating grammars
e4cdf628e added lyso galsph glcsph

git-subtree-dir: src/cppgoslin
git-subtree-split: 961e8c8bed64b815d03d886128f686ac3f58af4e
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