fix: conditional header generation for NMR JCAMP export #219
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This pull request addresses an issue where certain JCAMP files, like 356_MR260_NaCp_UHV_1H.jcamp.txt, could be opened directly in NMRium but failed to load through the ELN. Specifically, the NMRium button is enabled; however, when clicked, it only displays the placeholder drag-and-drop screen instead of loading the actual data.
Context:
The root cause was identified in the __header_nmr method in chem_spectra/lib/composer/ni.py, which previously attempted to add headers unconditionally. When any data field was missing, this led to inconsistencies and failed parsing by NMRium.
Solution:
This PR modifies the __header_nmr method to conditionally include each header line only if the corresponding data is present. This prevents incomplete or empty header lines that could disrupt the JCAMP file format.
This PR also adds a unit test to validate that no empty headers are generated. This ensures the integrity of the __header_nmr method and guards against regressions in future updates.
Changes:
Testing:
This fix will ensure that NMRium parse the file correctly when accessed via the ELN.
Issue : data not loaded into nmrium #221