Split test files and completed some tests - Githubissues

uibcdf / OpenPharmacophore

An open library to work with pharmacophores.

https://www.uibcdf.org/OpenPharmacophore

MIT License

33 stars 10 forks source link

Split test files and completed some tests #58

Closed Daniel-Ibarrola closed 2 years ago

Daniel-Ibarrola commented 2 years ago

Description

Tests were split across multiple files and organized in different folders. The following tests mentioned in #55 are now complete:

test_to_ligand_scout
test_read_pharmagist
test_confussion_matrix
test_from_bioactivity_data
test_first_and_last_pharmacophore
test_pharmacophore_from_mdtraj
test_pharmacophore_from_mdanalysis
test_pharmacophores_from_frames

Multiple files were reformatted and some bugs were fixed. Closes #55

Status

[x] Ready to go