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Added function to read Bruker's vd list #212

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merged 2 commits into from
Nov 28, 2023

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carlosbornes
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I added a function to nmrglue's bruker.py file, which allows for the reading of the vd delay list file that is required for relaxation studies, as well as optimization for certain rotor-synchronized experiments. The vd delay list file typically contains numerical values, sometimes accompanied by letters such as n, u, or m, indicating nano, micro, and milliseconds. The function read_vdlist handles this and converts the values into a list of floats.

@kaustubhmote
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@carlosbornes, thanks, this is a great addition. Maybe something like this for vclist can also be added in the future. I have a couple of minor comments on this which I have noted in the review. Additionally, if you can also check the code style (especially the number of characters in a line), I can merge this quickly.

@carlosbornes
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@kaustubhmote Not sure what you mean by comments you left at the review. Do you want me to retract the pull request and resubmit with shorter lines?

@kaustubhmote
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@carlosbornes you can directly make the changes in your local branch and push the branch to your account. These changes will automatically get reflected in this PR. No need to retract and resubmit.

Changes for compatibility with code style
@carlosbornes
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@kaustubhmote it should be better now

@kaustubhmote
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Looks excellent! Merging this in now. Thanks!

@kaustubhmote kaustubhmote merged commit 38f0d6f into jjhelmus:master Nov 28, 2023
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2 participants