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Todor Kondić authored
* base.R (write_keyval_file): New function. * resources.R (METFRAG_ADDUCT_SWITCHES): Fix a typo. * state.R (new_runtime_state): Update results with the new field `subpaths'. Also, opted for relative vs absolute paths, because the latter do not play well with tests in (stochastic) temporary directories. (base_conf): Update result to have a class `conf' signature. (metfrag_conf): Update with new parameters. (new_conf): Update with a call to `metfrag_conf'. (write_metfrag_config): New function which writes the MetFrag config file. * tests/testthat/test-metfrag.R: New file with MetFrag tests. * tests/testthat/_snaps/metfrag.md: New file .
Todor Kondić authored* base.R (write_keyval_file): New function. * resources.R (METFRAG_ADDUCT_SWITCHES): Fix a typo. * state.R (new_runtime_state): Update results with the new field `subpaths'. Also, opted for relative vs absolute paths, because the latter do not play well with tests in (stochastic) temporary directories. (base_conf): Update result to have a class `conf' signature. (metfrag_conf): Update with new parameters. (new_conf): Update with a call to `metfrag_conf'. (write_metfrag_config): New function which writes the MetFrag config file. * tests/testthat/test-metfrag.R: New file with MetFrag tests. * tests/testthat/_snaps/metfrag.md: New file .
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