CRDGEN-272 - Githubissues

schrodinger / coordgenlibs

Schrodinger-developed 2D Coordinate Generation

BSD 3-Clause "New" or "Revised" License

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CRDGEN-272 #92

Closed ZontaNicola closed 3 years ago

ZontaNicola commented 3 years ago

Changed the weights a bit so that when picking the "central" ring of a system we tend to pick rings that share more atoms with other rings also now when adding a side ring we try to align it with the already drawn ring that shares the most atoms with it

added a test

d-b-w commented 3 years ago

@ZontaNicola - Could you add an image to this PR that demonstrates what this accomplishes?

d-b-w commented 3 years ago

@ZontaNicola - Please add a test function that checks to see if there are any crossed bonds.

ZontaNicola commented 3 years ago

@ZontaNicola - Could you add an image to this PR that demonstrates what this accomplishes?

perfection itself ;)