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switching arg names from 'ligands' to new 'components' keyword to mat…
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…ch konnektor
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atravitz committed Nov 15, 2024
1 parent 144d345 commit 6d3e59a
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions openfe/setup/ligand_network_planning.py
Original file line number Diff line number Diff line change
Expand Up @@ -347,7 +347,7 @@ def generate_network_from_names(
network_planner = ExplicitNetworkGenerator(mappers=mapper, scorer=None)

network = network_planner.generate_network_from_names(
ligands=nodes, names=names
components=nodes, names=names
)

return network
Expand Down Expand Up @@ -433,7 +433,7 @@ def load_orion_network(

network_planner = ExplicitNetworkGenerator(mappers=mapper, scorer=None)
network = network_planner.generate_network_from_names(
ligands=ligands, names=names
components=ligands, names=names
)

return network
Expand Down Expand Up @@ -482,6 +482,6 @@ def load_fepplus_network(

network_planner = ExplicitNetworkGenerator(mappers=mapper, scorer=None)
network = network_planner.generate_network_from_names(
ligands=ligands, names=names
components=ligands, names=names
)
return network

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