From 6ccc252209e32b9bcb727a230a7e31e9f4d10fac Mon Sep 17 00:00:00 2001 From: Nicolass67 Date: Mon, 25 Nov 2024 13:55:02 +0100 Subject: [PATCH] Add unit test for JCAMP single point handling in the last line --- tests/fixtures/source/ms/MS_ESI.jdx | 853 ++++++++++++++++++++++++++++ tests/test_ms.py | 12 + 2 files changed, 865 insertions(+) create mode 100644 tests/fixtures/source/ms/MS_ESI.jdx diff --git a/tests/fixtures/source/ms/MS_ESI.jdx b/tests/fixtures/source/ms/MS_ESI.jdx new file mode 100644 index 00000000..74c581d9 --- /dev/null +++ b/tests/fixtures/source/ms/MS_ESI.jdx @@ -0,0 +1,853 @@ +##TITLE=$$ Begin of the data block +##JCAMP-DX=5.00 $$ ACD/Spectrus 2022 v 14.57 +##TIC=550904.000000 +##DATA TYPE=MASS SPECTRUM +##DATA CLASS=PEAK TABLE +##ORIGIN= +##OWNER= +##.IONIZATION MODE=Positive +##NPOINTS=3321 +##FIRSTX=45.04740906 +##LASTX=3001.70898438 +##MAXX=236402.00000000 +##MINX=15.00000000 +##MAXY=0.00000000 +##MINY=0.00000000 +##XFACTOR=1.0000000000 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+ +def test_jcamp_single_point_last_line(): + params = {'mass': 230.079907196} + + target = target_dir + source_dir + '/ms/MS_ESI.jdx' + jbcv = JcampBaseConverter(target, params) + mscv = JcampMSConverter(jbcv) + mscp = MSComposer(mscv) + + + lines = mscp.tf_jcamp().read()[:80000].decode('utf-8', errors='ignore').split('\n') + assert "2997.895988881645, 42.0" in lines \ No newline at end of file