mzdeisotoper 0.3.4

Deisotoping and charge state deconvolution of mass spectrometry files
Documentation 
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set dotenv-load := true

test-file:
    cargo r -r -- -g 1 \
        -l ./tmp/log.txt \
        -v selected-precursors \
        ./tests/data/batching_test.mzML \
        -o tmp/batching_test.processed.mzML

test-file-range:
    cargo r -r -- -g 1 \
        -v selected-precursors \
        ./tests/data/batching_test.mzML \
        -r 125-128.1 \
        -o tmp/batching_test.processed.mzML

test-stdin:
    cargo r -r -- -g 1 \
        -v selected-precursors \
        - \
        -o tmp/batching_test.processed.mzML \
        < ./tests/data/batching_test.mzML

test-stdin-range:
    cargo r -r -- -g 1 \
        -v selected-precursors \
        - \
        -r 125-128.1 \
        -o tmp/batching_test.processed.mzML \
        < ./tests/data/batching_test.mzML

test-file-mgf:
    cargo r -r -- -g 1 \
        -v tandem-only \
        ./tests/data/batching_test.mzML \
        -o tmp/batching_test.processed.mgf

test-file-mzmlb:
    cargo r -r --features mzmlb -- -g 1 \
        -v selected-precursors \
        ./tests/data/batching_test.mzML \
        -o tmp/batching_test.processed.mzMLb

test-read-gzip-file:
    cargo r -r -- -g 1 \
        -v selected-precursors \
        ./tests/data/batching_test.mzML.gz \
        -o tmp/batching_test.processed.mzML

test-gzip-stdin:
    cargo r -r -- -g 1 \
        -v selected-precursors \
        - \
        -o tmp/batching_test.processed.mzML \
        < ./tests/data/batching_test.mzML.gz

test-gzip-output:
    cargo r -r -- -g 1 \
        -v selected-precursors \
        - \
        -o tmp/batching_test.processed.mzML.gz \
        < ./tests/data/batching_test.mzML.gz

test-units:
    cargo test

alias t := test-units