Closed sevyharris closed 2 months ago
(top arrow was pointing backward and bottom pointing forward, so I fixed that and force pushed)
Hmm... for tall reactions the arrows are too far apart.
Maybe I'll set a maximum space between the harpoons.
Made the spacing a fixed number of pixels. Seems to have fixed it.
Found an example that looks like it's not perfectly centered in the y-direction so I might look into that and make sure bigger molecules render okay here, but this example isn't too bad. It still appears to be in the approximate center of mass or so.
WARNING:root:Initial mole fractions do not sum to one; normalizing. WARNING:root:Initial mole fractions do not sum to one; normalizing. WARNING:root:Initial mole fractions do not sum to one; normalizing. ⚠️ One or more regression tests failed. Please download the failed results and run the tests locally or check the log to see why.
beep boop this comment was written by a bot :robot:
but this example isn't too bad. It still appears to be in the approximate center of mass or so.
I agree that looks fine to me - near the center of mass. Unless you have examples of it looking much weirder (perhaps one big one small?) and being the fault of this PR, I would call this good.
Yeah, here are some larger images that look fine. Probably good to merge.
Motivation or Problem
RMG reactions are typically reversible, but they are always drawn with a forward arrow → instead of the double harpoons. ⇌
Description of Changes
This PR makes it the default to draw the arrow as described by the
reaction.reversible
property (→ forFalse
and ⇌ forTrue
). If someone wants to revert to the way things were and always draw the arrow as →, they can set the ReactionDrawer option 'drawReversibleArrow' toFalse
.Testing
Here's some code to test out the results in a Jupyter notebook (note the last example writes to a file)
Reviewer Tips
Any other thoughts on changing the default from →? Possible consequences downstream?