Skip to content

Smallest set of smallest rings inconsistent for fused rings #157

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Closed
rwest opened this issue Oct 18, 2013 · 3 comments
Closed

Smallest set of smallest rings inconsistent for fused rings #157

rwest opened this issue Oct 18, 2013 · 3 comments

Comments

@rwest
Copy link
Member

rwest commented Oct 18, 2013

There's an element of chance depending on which atom you choose first.

image

@rwest
Copy link
Member Author

rwest commented Oct 18, 2013

This in turn messes up the "is it in more than one cycle" method, which then makes the thermo random, see #155

@vrlambert
Copy link

I pushed a commit which should fix this. I implemented the changes we talked about at the RMG study group a few weeks ago where it removes first the root node and then other nodes with only one edge.

90866a5

@rwest
Copy link
Member Author

rwest commented Nov 19, 2013

Closed by 90866a5.
Thanks @vrlambert

@rwest rwest closed this as completed Nov 19, 2013
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants