From cc3c0abdec585d0995cec364e683a9e838585b13 Mon Sep 17 00:00:00 2001 From: Adriano Rutz Date: Wed, 16 Aug 2023 07:26:40 +0200 Subject: [PATCH] adding example retention time library --- inst/paths.yaml | 5 +++++ tests/testthat/test_functions.R | 14 +++++++++++++- 2 files changed, 18 insertions(+), 1 deletion(-) diff --git a/inst/paths.yaml b/inst/paths.yaml index 039bd6e64..8d0eaba45 100644 --- a/inst/paths.yaml +++ b/inst/paths.yaml @@ -74,6 +74,9 @@ data: set: data/source/benchmark/ALL_GNPS_210125_matchms_pubchem_cleaned_v2.msp libraries: path: data/source/libraries + rt: + path: data/source/libraries/rt + example_mini: data/source/libraries/rt/example_lib_mini_rt.tsv sop: path: data/source/libraries/sop closed: ../lotus-processor/data/processed/230224_closed_metadata.csv.gz @@ -184,6 +187,8 @@ urls: benchmarking_set: https://zenodo.org/record/5186176/files/ALL_GNPS_210125_matchms_pubchem_cleaned_v2.msp?download=1 examples: features: https://github.com/taxonomicallyinformedannotation/tima-example-files/raw/main/example_features.csv + lib_mini: + rt: https://github.com/taxonomicallyinformedannotation/tima-example-files/raw/main/example_lib_mini_rt.tsv metadata: https://github.com/taxonomicallyinformedannotation/tima-example-files/raw/main/example_metadata.tsv sirius: https://github.com/taxonomicallyinformedannotation/tima-example-files/raw/main/example_sirius.zip spectra: https://github.com/taxonomicallyinformedannotation/tima-example-files/raw/main/example_spectra.mgf diff --git a/tests/testthat/test_functions.R b/tests/testthat/test_functions.R index 2bc3c4f44..ded46ad42 100644 --- a/tests/testthat/test_functions.R +++ b/tests/testthat/test_functions.R @@ -93,6 +93,11 @@ testthat::test_that("Whole process", { url = paths$urls$examples$spectral_lib_mini$with_rt, export = paths$data$source$libraries$spectra$exp$with_rt ) + ### Temporal library + get_file( + url = paths$urls$examples$lib_mini$rt, + export = paths$data$source$libraries$rt$example_mini + ) #### SIRIUS ## mini version for tests @@ -255,8 +260,15 @@ testthat::test_that("Whole process", { mgf_exp = list( "neg" = "data/interim/libraries/spectra/exp/internal_neg.rds", "pos" = "data/interim/libraries/spectra/exp/internal_pos.rds" - ) + ), + mgf_is = list( + "neg" = "data/interim/libraries/spectra/exp/internal_neg.rds", + "pos" = "data/interim/libraries/spectra/exp/internal_pos.rds" + ), + temp_exp = paths$data$source$libraries$rt$example_mini, + temp_is = paths$data$source$libraries$rt$example_mini ) + prepare_libraries_rt() ### Features step <- "prepare_features_tables"