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fixing mapper/s to avoid api break
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atravitz committed Nov 6, 2024
1 parent 2e2fc42 commit 6775dfd
Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions openfe/tests/setup/test_network_planning.py
Original file line number Diff line number Diff line change
Expand Up @@ -440,7 +440,7 @@ def test_network_from_names(atom_mapping_basic_test_files, lomap_old_mapper):
network = openfe.setup.ligand_network_planning.generate_network_from_names(
ligands=ligs,
names=requested,
mappers=lomap_old_mapper,
mapper=lomap_old_mapper,
)

assert len(network.nodes) == len(ligs)
Expand All @@ -464,7 +464,7 @@ def test_network_from_names_bad_name(
_ = openfe.setup.ligand_network_planning.generate_network_from_names(
ligands=ligs,
names=requested,
mappers=lomap_old_mapper,
mapper=lomap_old_mapper,
)


Expand All @@ -483,7 +483,7 @@ def test_network_from_names_duplicate_name(
_ = openfe.setup.ligand_network_planning.generate_network_from_names(
ligands=ligs,
names=requested,
mappers=lomap_old_mapper,
mapper=lomap_old_mapper,
)


Expand All @@ -497,7 +497,7 @@ def test_network_from_indices(
network = openfe.setup.ligand_network_planning.generate_network_from_indices(
ligands=ligs,
indices=requested,
mappers=lomap_old_mapper,
mapper=lomap_old_mapper,
)

assert len(network.nodes) == len(ligs)
Expand All @@ -522,7 +522,7 @@ def test_network_from_indices_indexerror(
network = openfe.setup.ligand_network_planning.generate_network_from_indices(
ligands=ligs,
indices=requested,
mappers=lomap_old_mapper,
mapper=lomap_old_mapper,
)


Expand All @@ -536,7 +536,7 @@ def test_network_from_indices_disconnected_warning(
_ = openfe.setup.ligand_network_planning.generate_network_from_indices(
ligands=ligs,
indices=requested,
mappers=lomap_old_mapper,
mapper=lomap_old_mapper,
)


Expand All @@ -553,7 +553,7 @@ def test_network_from_external(file_fixture, loader, request,

network = loader(
ligands=[l for l in benzene_modifications.values()],
mappers=openfe.LomapAtomMapper(),
mapper=openfe.LomapAtomMapper(),
network_file=network_file,
)

Expand Down Expand Up @@ -614,7 +614,7 @@ def test_bad_orion_network(benzene_modifications, tmpdir):
with pytest.raises(KeyError, match="line does not match"):
network = openfe.setup.ligand_network_planning.load_orion_network(
ligands=[l for l in benzene_modifications.values()],
mappers=openfe.LomapAtomMapper(),
mapper=openfe.LomapAtomMapper(),
network_file='bad_orion_net.dat',
)

Expand All @@ -637,6 +637,6 @@ def test_bad_edges_network(benzene_modifications, tmpdir):
with pytest.raises(KeyError, match="line does not match"):
network = openfe.setup.ligand_network_planning.load_fepplus_network(
ligands=[l for l in benzene_modifications.values()],
mappers=openfe.LomapAtomMapper(),
mapper=openfe.LomapAtomMapper(),
network_file='bad_edges.edges',
)

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