Data files such as pdbs, trajectories, etc are now loaded from a python module instead of manually writing the directories if them. This fixed a bug when running the tests from a different location.
Example data files can be loaded like this:
import openpharmacohore as oph
import openpharmacophore.data as data
# Load a sample pharmacophore
pharmacophore = oph.LigandBasedPharmacophore.from_ligand_file(data.pharmacophores["elastase"])
Description
Data files such as pdbs, trajectories, etc are now loaded from a python module instead of manually writing the directories if them. This fixed a bug when running the tests from a different location.
Example data files can be loaded like this:
Also, formatting was improved in modified files.