Closed IAlibay closed 4 months ago
The openfe tests depend on some of the old LomapAtomMapper defaults (especially a large max3d and shift=True).
This is because some of the basic test files are unalligned molecules.
To ensure the tests still pass we need to pin these defaults in some of our tests.
The openfe tests depend on some of the old LomapAtomMapper defaults (especially a large max3d and shift=True).
This is because some of the basic test files are unalligned molecules.
To ensure the tests still pass we need to pin these defaults in some of our tests.