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Add read support for Chemical Markup Language IR spectra. #1668

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merged 4 commits into from
Feb 29, 2024

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@Mailaender Mailaender commented Feb 28, 2024

This implements a small excerpt of https://www.xml-cml.org mostly based on the example data provided because the scheme is very loose with all nodes being annotated as any, creating no real structure.

@Mailaender Mailaender changed the title Add read support for Chemical Markup Language *IR spectra. Add read support for Chemical Markup Language IR spectra. Feb 28, 2024
@eselmeister eselmeister merged commit 54fdaba into eclipse:develop Feb 29, 2024
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@Mailaender Mailaender deleted the cml branch February 29, 2024 11:41
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2 participants