Update ketoenol template image to 1,3 sigmatropic rearrangement#2219
Conversation
amarkpayne
left a comment
There was a problem hiding this comment.
One minor missing file, but otherwise this looks good to go. Go ahead and push the update and I'll merge this in. Thanks for the PR @kspieks !
| .. |f75| image:: images/kinetics_families/1,3_sigmatropic_rearrangement.png | ||
| :scale: 40% |
There was a problem hiding this comment.
Can you add the image to the RMG-Py repo at the location above?
There was a problem hiding this comment.
Also, delete the ketoenol image
There was a problem hiding this comment.
Sorry about that. Not sure what happened but searching for "ketoenol" in PyCharm didn't show those files for me. I wasn't masking by .py files (but I should've still looked for the images whoops). Pushed an updated commit that adds the 1,3 sigmatropic rearrangement image and removes the ketoenol image. Thanks for catching those mistakes!
There was a problem hiding this comment.
No worries! It is interesting that we store these pictures in both repositories instead of just one
Also update the number of RMG reaction templates
80bbbd8 to
9223102
Compare
Codecov Report
@@ Coverage Diff @@
## main #2219 +/- ##
==========================================
+ Coverage 47.17% 47.20% +0.03%
==========================================
Files 104 104
Lines 27706 27706
Branches 7133 7133
==========================================
+ Hits 13071 13080 +9
+ Misses 13227 13219 -8
+ Partials 1408 1407 -1
Continue to review full report at Codecov.
|
This RMG-database PR broadens the reaction template of our keto-enol reaction family so that it is now represented as 1,3 sigmatropic rearrangement (which includes keto-enol reactions as well as others). This minor PR updates the corresponding reaction template images in the RMG-Py documentation.