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adding example retention time library
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Adafede committed Aug 16, 2023
1 parent d51c27f commit cc3c0ab
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5 changes: 5 additions & 0 deletions inst/paths.yaml
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Expand Up @@ -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
Expand Down Expand Up @@ -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
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14 changes: 13 additions & 1 deletion tests/testthat/test_functions.R
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Expand Up @@ -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
Expand Down Expand Up @@ -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"
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