glotaran / pyglotaran

A Python library for Global and Target Analysis of time-resolved spectroscopy data
GNU Lesser General Public License v3.0
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✨ Add support for pfid megacomplex #1510

Closed jsnel closed 2 weeks ago

jsnel commented 3 weeks ago

Add support for the modelling of perturbed free induction decay (PFID) as described in the 1995 paper by P. Hamm.

P. Hamm, “Coherent effects in femtosecond infrared spectroscopy,” Chemical Physics 200, 415–429 (1995). DOI: 10.1016/0301-0104(95)00262-6

Change summary

The feature will be documented as part of an upcoming publication.

Checklist

github-actions[bot] commented 3 weeks ago

Binder :point_left: Launch a binder notebook on branch _jsnel/pyglotaran/pfidmegacomplex

codecov[bot] commented 3 weeks ago

Codecov Report

Attention: Patch coverage is 89.18919% with 12 lines in your changes missing coverage. Please review.

Project coverage is 88.8%. Comparing base (2c88dce) to head (dd657e8). Report is 19 commits behind head on main.

Files Patch % Lines
...ran/builtin/megacomplexes/pfid/pfid_megacomplex.py 88.7% 7 Missing and 5 partials :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #1510 +/- ## ======================================= + Coverage 88.6% 88.8% +0.1% ======================================= Files 107 109 +2 Lines 5128 5245 +117 Branches 962 982 +20 ======================================= + Hits 4544 4658 +114 Misses 468 468 - Partials 116 119 +3 ```

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jsnel commented 3 weeks ago

Removed the bugfix from this PR and into its own PR: #1512

sonarcloud[bot] commented 2 weeks ago

Quality Gate Passed Quality Gate passed

Issues
4 New issues
0 Accepted issues

Measures
0 Security Hotspots
0.0% Coverage on New Code
0.0% Duplication on New Code

See analysis details on SonarCloud