move tests directory to root.

See [official recommendation](https://packaging.python.org/en/latest/tutorials/packaging-projects/#creating-the-package-files) and [this issue](MolSSI/cookiecutter-cms#144)
AAriam · May 10, 2023 · c8e7c95 · c8e7c95
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diff --git a/opencadd/tests/data/io/2itz.pdb → tests/data/io/2itz.pdb b/opencadd/tests/data/io/2itz.pdb → tests/data/io/2itz.pdb
diff --git a/...add/tests/data/io/2itz_chainA_ligand.mol2 → tests/data/io/2itz_chainA_ligand.mol2 b/...add/tests/data/io/2itz_chainA_ligand.mol2 → tests/data/io/2itz_chainA_ligand.mol2
diff --git a/...dd/tests/data/io/2itz_chainA_protein.mol2 → tests/data/io/2itz_chainA_protein.mol2 b/...dd/tests/data/io/2itz_chainA_protein.mol2 → tests/data/io/2itz_chainA_protein.mol2
diff --git a/opencadd/tests/data/io/2itz_protein.mol2 → tests/data/io/2itz_protein.mol2 b/opencadd/tests/data/io/2itz_protein.mol2 → tests/data/io/2itz_protein.mol2
diff --git a/opencadd/tests/data/io/README.md → tests/data/io/README.md b/opencadd/tests/data/io/README.md → tests/data/io/README.md
diff --git a/opencadd/tests/data/io/invalid_data → tests/data/io/invalid_data b/opencadd/tests/data/io/invalid_data → tests/data/io/invalid_data
diff --git a/.../klifs/HUMAN/BMX/3sxr_chainA/complex.mol2 → .../klifs/HUMAN/BMX/3sxr_chainA/complex.mol2 b/.../klifs/HUMAN/BMX/3sxr_chainA/complex.mol2 → .../klifs/HUMAN/BMX/3sxr_chainA/complex.mol2
diff --git a/...ata/klifs/HUMAN/BMX/3sxr_chainA/ions.mol2 → ...ata/klifs/HUMAN/BMX/3sxr_chainA/ions.mol2 b/...ata/klifs/HUMAN/BMX/3sxr_chainA/ions.mol2 → ...ata/klifs/HUMAN/BMX/3sxr_chainA/ions.mol2
diff --git a/...a/klifs/HUMAN/BMX/3sxr_chainA/ligand.mol2 → ...a/klifs/HUMAN/BMX/3sxr_chainA/ligand.mol2 b/...a/klifs/HUMAN/BMX/3sxr_chainA/ligand.mol2 → ...a/klifs/HUMAN/BMX/3sxr_chainA/ligand.mol2
diff --git a/...a/klifs/HUMAN/BMX/3sxr_chainA/pocket.mol2 → ...a/klifs/HUMAN/BMX/3sxr_chainA/pocket.mol2 b/...a/klifs/HUMAN/BMX/3sxr_chainA/pocket.mol2 → ...a/klifs/HUMAN/BMX/3sxr_chainA/pocket.mol2
diff --git a/.../klifs/HUMAN/BMX/3sxr_chainA/protein.mol2 → .../klifs/HUMAN/BMX/3sxr_chainA/protein.mol2 b/.../klifs/HUMAN/BMX/3sxr_chainA/protein.mol2 → .../klifs/HUMAN/BMX/3sxr_chainA/protein.mol2
diff --git a/...ta/klifs/HUMAN/BMX/3sxr_chainA/water.mol2 → ...ta/klifs/HUMAN/BMX/3sxr_chainA/water.mol2 b/...ta/klifs/HUMAN/BMX/3sxr_chainA/water.mol2 → ...ta/klifs/HUMAN/BMX/3sxr_chainA/water.mol2
diff --git a/...klifs/HUMAN/BRAF/6uuo_chainA/complex.mol2 → ...klifs/HUMAN/BRAF/6uuo_chainA/complex.mol2 b/...klifs/HUMAN/BRAF/6uuo_chainA/complex.mol2 → ...klifs/HUMAN/BRAF/6uuo_chainA/complex.mol2
diff --git a/.../klifs/HUMAN/BRAF/6uuo_chainA/complex.pdb → .../klifs/HUMAN/BRAF/6uuo_chainA/complex.pdb b/.../klifs/HUMAN/BRAF/6uuo_chainA/complex.pdb → .../klifs/HUMAN/BRAF/6uuo_chainA/complex.pdb
diff --git a/...s/HUMAN/BRAF/6uuo_chainA/klifs_ligand.pdb → ...s/HUMAN/BRAF/6uuo_chainA/klifs_ligand.pdb b/...s/HUMAN/BRAF/6uuo_chainA/klifs_ligand.pdb → ...s/HUMAN/BRAF/6uuo_chainA/klifs_ligand.pdb
diff --git a/.../klifs/HUMAN/BRAF/6uuo_chainA/ligand.mol2 → .../klifs/HUMAN/BRAF/6uuo_chainA/ligand.mol2 b/.../klifs/HUMAN/BRAF/6uuo_chainA/ligand.mol2 → .../klifs/HUMAN/BRAF/6uuo_chainA/ligand.mol2
diff --git a/.../klifs/HUMAN/BRAF/6uuo_chainA/pocket.mol2 → .../klifs/HUMAN/BRAF/6uuo_chainA/pocket.mol2 b/.../klifs/HUMAN/BRAF/6uuo_chainA/pocket.mol2 → .../klifs/HUMAN/BRAF/6uuo_chainA/pocket.mol2
diff --git a/...a/klifs/HUMAN/BRAF/6uuo_chainA/pocket.pdb → ...a/klifs/HUMAN/BRAF/6uuo_chainA/pocket.pdb b/...a/klifs/HUMAN/BRAF/6uuo_chainA/pocket.pdb → ...a/klifs/HUMAN/BRAF/6uuo_chainA/pocket.pdb
diff --git a/...klifs/HUMAN/BRAF/6uuo_chainA/protein.mol2 → ...klifs/HUMAN/BRAF/6uuo_chainA/protein.mol2 b/...klifs/HUMAN/BRAF/6uuo_chainA/protein.mol2 → ...klifs/HUMAN/BRAF/6uuo_chainA/protein.mol2
diff --git a/...a/klifs/HUMAN/BRAF/6uuo_chainA/water.mol2 → ...a/klifs/HUMAN/BRAF/6uuo_chainA/water.mol2 b/...a/klifs/HUMAN/BRAF/6uuo_chainA/water.mol2 → ...a/klifs/HUMAN/BRAF/6uuo_chainA/water.mol2
diff --git a/...a/klifs/HUMAN/FMS/2ogv_chainA/complex.pdb → ...a/klifs/HUMAN/FMS/2ogv_chainA/complex.pdb b/...a/klifs/HUMAN/FMS/2ogv_chainA/complex.pdb → ...a/klifs/HUMAN/FMS/2ogv_chainA/complex.pdb
diff --git a/...ta/klifs/HUMAN/FMS/2ogv_chainA/pocket.pdb → ...ta/klifs/HUMAN/FMS/2ogv_chainA/pocket.pdb b/...ta/klifs/HUMAN/FMS/2ogv_chainA/pocket.pdb → ...ta/klifs/HUMAN/FMS/2ogv_chainA/pocket.pdb
diff --git a/...klifs/HUMAN/LRRK2/7lht_chainA/complex.pdb → ...klifs/HUMAN/LRRK2/7lht_chainA/complex.pdb b/...klifs/HUMAN/LRRK2/7lht_chainA/complex.pdb → ...klifs/HUMAN/LRRK2/7lht_chainA/complex.pdb
diff --git a/.../klifs/HUMAN/LRRK2/7lht_chainA/pocket.pdb → .../klifs/HUMAN/LRRK2/7lht_chainA/pocket.pdb b/.../klifs/HUMAN/LRRK2/7lht_chainA/pocket.pdb → .../klifs/HUMAN/LRRK2/7lht_chainA/pocket.pdb
diff --git a/opencadd/tests/data/klifs/KLIFS_export.csv → tests/data/klifs/KLIFS_export.csv b/opencadd/tests/data/klifs/KLIFS_export.csv → tests/data/klifs/KLIFS_export.csv
diff --git a/...klifs/MOUSE/ABL1/1fpu_chainA/complex.mol2 → ...klifs/MOUSE/ABL1/1fpu_chainA/complex.mol2 b/...klifs/MOUSE/ABL1/1fpu_chainA/complex.mol2 → ...klifs/MOUSE/ABL1/1fpu_chainA/complex.mol2
diff --git a/.../klifs/MOUSE/ABL1/1fpu_chainA/ligand.mol2 → .../klifs/MOUSE/ABL1/1fpu_chainA/ligand.mol2 b/.../klifs/MOUSE/ABL1/1fpu_chainA/ligand.mol2 → .../klifs/MOUSE/ABL1/1fpu_chainA/ligand.mol2
diff --git a/.../klifs/MOUSE/ABL1/1fpu_chainA/pocket.mol2 → .../klifs/MOUSE/ABL1/1fpu_chainA/pocket.mol2 b/.../klifs/MOUSE/ABL1/1fpu_chainA/pocket.mol2 → .../klifs/MOUSE/ABL1/1fpu_chainA/pocket.mol2
diff --git a/...klifs/MOUSE/ABL1/1fpu_chainA/protein.mol2 → ...klifs/MOUSE/ABL1/1fpu_chainA/protein.mol2 b/...klifs/MOUSE/ABL1/1fpu_chainA/protein.mol2 → ...klifs/MOUSE/ABL1/1fpu_chainA/protein.mol2
diff --git a/...MOUSE/ABL1/1fpu_chainA/protein_pymol.mol2 → ...MOUSE/ABL1/1fpu_chainA/protein_pymol.mol2 b/...MOUSE/ABL1/1fpu_chainA/protein_pymol.mol2 → ...MOUSE/ABL1/1fpu_chainA/protein_pymol.mol2
diff --git a/.../MOUSE/ABL1/1fpu_chainA/protein_pymol.pdb → .../MOUSE/ABL1/1fpu_chainA/protein_pymol.pdb b/.../MOUSE/ABL1/1fpu_chainA/protein_pymol.pdb → .../MOUSE/ABL1/1fpu_chainA/protein_pymol.pdb
diff --git a/...a/klifs/MOUSE/ABL1/1fpu_chainA/water.mol2 → ...a/klifs/MOUSE/ABL1/1fpu_chainA/water.mol2 b/...a/klifs/MOUSE/ABL1/1fpu_chainA/water.mol2 → ...a/klifs/MOUSE/ABL1/1fpu_chainA/water.mol2
diff --git a/...klifs/MOUSE/ABL1/1fpu_chainB/complex.mol2 → ...klifs/MOUSE/ABL1/1fpu_chainB/complex.mol2 b/...klifs/MOUSE/ABL1/1fpu_chainB/complex.mol2 → ...klifs/MOUSE/ABL1/1fpu_chainB/complex.mol2
diff --git a/.../klifs/MOUSE/ABL1/1fpu_chainB/ligand.mol2 → .../klifs/MOUSE/ABL1/1fpu_chainB/ligand.mol2 b/.../klifs/MOUSE/ABL1/1fpu_chainB/ligand.mol2 → .../klifs/MOUSE/ABL1/1fpu_chainB/ligand.mol2
diff --git a/.../klifs/MOUSE/ABL1/1fpu_chainB/pocket.mol2 → .../klifs/MOUSE/ABL1/1fpu_chainB/pocket.mol2 b/.../klifs/MOUSE/ABL1/1fpu_chainB/pocket.mol2 → .../klifs/MOUSE/ABL1/1fpu_chainB/pocket.mol2
diff --git a/...klifs/MOUSE/ABL1/1fpu_chainB/protein.mol2 → ...klifs/MOUSE/ABL1/1fpu_chainB/protein.mol2 b/...klifs/MOUSE/ABL1/1fpu_chainB/protein.mol2 → ...klifs/MOUSE/ABL1/1fpu_chainB/protein.mol2
diff --git a/...MOUSE/ABL1/1fpu_chainB/protein_pymol.mol2 → ...MOUSE/ABL1/1fpu_chainB/protein_pymol.mol2 b/...MOUSE/ABL1/1fpu_chainB/protein_pymol.mol2 → ...MOUSE/ABL1/1fpu_chainB/protein_pymol.mol2
diff --git a/.../MOUSE/ABL1/1fpu_chainB/protein_pymol.pdb → .../MOUSE/ABL1/1fpu_chainB/protein_pymol.pdb b/.../MOUSE/ABL1/1fpu_chainB/protein_pymol.pdb → .../MOUSE/ABL1/1fpu_chainB/protein_pymol.pdb
diff --git a/...a/klifs/MOUSE/ABL1/1fpu_chainB/water.mol2 → ...a/klifs/MOUSE/ABL1/1fpu_chainB/water.mol2 b/...a/klifs/MOUSE/ABL1/1fpu_chainB/water.mol2 → ...a/klifs/MOUSE/ABL1/1fpu_chainB/water.mol2
diff --git a/opencadd/tests/data/klifs/klifs_metadata.csv → tests/data/klifs/klifs_metadata.csv b/opencadd/tests/data/klifs/klifs_metadata.csv → tests/data/klifs/klifs_metadata.csv
diff --git a/opencadd/tests/data/klifs/overview.csv → tests/data/klifs/overview.csv b/opencadd/tests/data/klifs/overview.csv → tests/data/klifs/overview.csv
diff --git a/...pocket/AAK1_4wsq_altA_chainA_protein.mol2 → ...pocket/AAK1_4wsq_altA_chainA_protein.mol2 b/...pocket/AAK1_4wsq_altA_chainA_protein.mol2 → ...pocket/AAK1_4wsq_altA_chainA_protein.mol2
diff --git a/...sts/data/pocket/NEK2_5m55_altB_chainA.pdb → tests/data/pocket/NEK2_5m55_altB_chainA.pdb b/...sts/data/pocket/NEK2_5m55_altB_chainA.pdb → tests/data/pocket/NEK2_5m55_altB_chainA.pdb
diff --git a/opencadd/tests/databases/test_klifs_api.py → tests/databases/test_klifs_api.py b/opencadd/tests/databases/test_klifs_api.py → tests/databases/test_klifs_api.py
diff --git a/.../tests/databases/test_klifs_exceptions.py → tests/databases/test_klifs_exceptions.py b/.../tests/databases/test_klifs_exceptions.py → tests/databases/test_klifs_exceptions.py
diff --git a/...ests/databases/test_klifs_local_remote.py → tests/databases/test_klifs_local_remote.py b/...ests/databases/test_klifs_local_remote.py → tests/databases/test_klifs_local_remote.py
diff --git a/...ases/test_klifs_remote_parallelization.py → ...ases/test_klifs_remote_parallelization.py b/...ases/test_klifs_remote_parallelization.py → ...ases/test_klifs_remote_parallelization.py
diff --git a/opencadd/tests/databases/test_klifs_utils.py → tests/databases/test_klifs_utils.py b/opencadd/tests/databases/test_klifs_utils.py → tests/databases/test_klifs_utils.py
diff --git a/...databases/test_sync_klifs_and_opencadd.py → ...databases/test_sync_klifs_and_opencadd.py b/...databases/test_sync_klifs_and_opencadd.py → ...databases/test_sync_klifs_and_opencadd.py
diff --git a/opencadd/tests/io/test_biopython.py → tests/io/test_biopython.py b/opencadd/tests/io/test_biopython.py → tests/io/test_biopython.py
diff --git a/opencadd/tests/io/test_dataframes.py → tests/io/test_dataframes.py b/opencadd/tests/io/test_dataframes.py → tests/io/test_dataframes.py
diff --git a/opencadd/tests/io/test_rdkit.py → tests/io/test_rdkit.py b/opencadd/tests/io/test_rdkit.py → tests/io/test_rdkit.py
diff --git a/...add/tests/structure/test_pocket_anchor.py → tests/structure/test_pocket_anchor.py b/...add/tests/structure/test_pocket_anchor.py → tests/structure/test_pocket_anchor.py
diff --git a/opencadd/tests/structure/test_pocket_base.py → tests/structure/test_pocket_base.py b/opencadd/tests/structure/test_pocket_base.py → tests/structure/test_pocket_base.py
diff --git a/opencadd/tests/structure/test_pocket_core.py → tests/structure/test_pocket_core.py b/opencadd/tests/structure/test_pocket_core.py → tests/structure/test_pocket_core.py
diff --git a/...add/tests/structure/test_pocket_region.py → tests/structure/test_pocket_region.py b/...add/tests/structure/test_pocket_region.py → tests/structure/test_pocket_region.py
diff --git a/.../tests/structure/test_pocket_subpocket.py → tests/structure/test_pocket_subpocket.py b/.../tests/structure/test_pocket_subpocket.py → tests/structure/test_pocket_subpocket.py
diff --git a/...dd/tests/structure/test_structure_core.py → tests/structure/test_structure_core.py b/...dd/tests/structure/test_structure_core.py → tests/structure/test_structure_core.py
diff --git a/...tests/structure/test_superposition_api.py → tests/structure/test_superposition_api.py b/...tests/structure/test_superposition_api.py → tests/structure/test_superposition_api.py
diff --git a/...tests/structure/test_superposition_mda.py → tests/structure/test_superposition_mda.py b/...tests/structure/test_superposition_mda.py → tests/structure/test_superposition_mda.py
diff --git a/.../structure/test_superposition_mmligner.py → .../structure/test_superposition_mmligner.py b/.../structure/test_superposition_mmligner.py → .../structure/test_superposition_mmligner.py
diff --git a/...s/structure/test_superposition_theseus.py → ...s/structure/test_superposition_theseus.py b/...s/structure/test_superposition_theseus.py → ...s/structure/test_superposition_theseus.py