jjhelmus / nmrglue

A module for working with NMR data in Python
BSD 3-Clause "New" or "Revised" License
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Added function to read Bruker's vd list #212

Closed carlosbornes closed 7 months ago

carlosbornes commented 7 months ago

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 _readvdlist handles this and converts the values into a list of floats.

kaustubhmote commented 7 months ago

@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 commented 7 months ago

@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 commented 7 months ago

@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.

carlosbornes commented 7 months ago

@kaustubhmote it should be better now

kaustubhmote commented 7 months ago

Looks excellent! Merging this in now. Thanks!