Improve Rule Generation

[mjohnson541]

This has four main changes

1. Enables tree generation for charge transfer families
2. Updates tree generation, if E0 < 0 or n = 1 it simply uses the average instead of the BM rule
3. Improves BM fitting using dH298
4. Adds a SolventData attribute to reactions that can hold transition state solute information

[lgtm-com[bot]]

This pull request introduces 2 alerts and fixes 2 when merging ea72bf4db6f57f996751531d60e7fc3341a09732 into 603b7f48d32f7b27cdc5487d8d59affca5fc560e - view on LGTM.com

new alerts:

• 1 for Syntax error
• 1 for Unreachable code

fixed alerts:

• 2 for Suspicious unused loop iteration variable

[lgtm-com[bot]]

This pull request introduces 2 alerts and fixes 2 when merging 4174c9111fa34491901d3c3b0658b6f63fe96f7d into 603b7f48d32f7b27cdc5487d8d59affca5fc560e - view on LGTM.com

new alerts:

• 1 for Syntax error
• 1 for Unreachable code

fixed alerts:

• 2 for Suspicious unused loop iteration variable

[mjohnson541]

I'm not sure how up to date this PR is relative to the electrochem branch. It's been a while, I think as defined in the paper the dHrxn is at 298 K which implies that the Ea is constant with respect to temperature so you only have one datapoint to determine E0. You can determine E0 this way, but I think someone was having problems with those fits? At some point I think this was a matter of significant urgency to get merged and then we (or at least I) forgot about it?

[rwest]

I think this would address https://github.com/ReactionMechanismGenerator/RMG-Py/issues/1748

[rwest]

I think this is now part of https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2316 which has been more recently rebased and checked. Hopefully that will be merged soon.