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schrodinger / coordgenlibs

Schrodinger-developed 2D Coordinate Generation
BSD 3-Clause "New" or "Revised" License
42 stars 28 forks source link

convenience functions for PPI #75

Closed ZontaNicola closed 4 years ago

ZontaNicola commented 4 years ago

this adds a few convenience functions for the work I'm doing on minimizing PPIs. Also add the ability to have a tolerance range for clash interactions

ZontaNicola commented 4 years ago

The commits column is very cluttered, I have to figure out a way to generate a clean PR

d-b-w commented 4 years ago

Nic - This set of commits fails to build on Windows and Mac, and it can't be merged due to conflicts with the master branch.

ZontaNicola commented 4 years ago

Nic - This set of commits fails to build on Windows and Mac, and it can't be merged due to conflicts with the master branch.

I only see the errors on windows (which I'm trying to figure out) and I have a "This branch has no conflicts with the base branch" message

d-b-w commented 4 years ago

Nic - Would you please fix the failing tests if this is ready to be reviewed/merged?

Also, I still see the message "This branch cannot be rebased due to conflicts"

ZontaNicola commented 4 years ago

@d-b-w The tests are now passing and the branch seems mergeable.

ZontaNicola commented 4 years ago

@d-b-w are you happy with this?

d-b-w commented 4 years ago

I've merged this feature.