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Merge pull request #955 from OpenFreeEnergy/fix_slow_cli_call
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move slow import inside function call
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IAlibay authored Oct 12, 2024
2 parents 29d8cd9 + 0186b3c commit 83028b1
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Showing 2 changed files with 5 additions and 4 deletions.
4 changes: 2 additions & 2 deletions openfecli/commands/plan_rbfe_network.py
Original file line number Diff line number Diff line change
Expand Up @@ -7,8 +7,6 @@
from openfecli.parameters import (
MOL_DIR, PROTEIN, OUTPUT_DIR, COFACTORS, YAML_OPTIONS,
)
from openfecli.plan_alchemical_networks_utils import plan_alchemical_network_output


def plan_rbfe_network_main(
mapper,
Expand Down Expand Up @@ -116,6 +114,8 @@ def plan_rbfe_network(
which is detailed in the Options section.
For more advanced setups, please consider using the Python layer of openfe.
"""
from openfecli.plan_alchemical_networks_utils import plan_alchemical_network_output

write("RBFE-NETWORK PLANNER")
write("______________________")
write("")
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5 changes: 3 additions & 2 deletions openfecli/commands/plan_rhfe_network.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,6 @@
from openfecli.parameters import (
MOL_DIR, MAPPER, OUTPUT_DIR, YAML_OPTIONS,
)
from openfecli.plan_alchemical_networks_utils import plan_alchemical_network_output


def plan_rhfe_network_main(
mapper, mapping_scorer, ligand_network_planner, small_molecules,
Expand Down Expand Up @@ -100,6 +98,9 @@ def plan_rhfe_network(molecules: List[str], yaml_settings: str, output_dir: str)
transformation a JSON file, that can be run with quickrun (or other
future tools).
"""

from openfecli.plan_alchemical_networks_utils import plan_alchemical_network_output

write("RHFE-NETWORK PLANNER")
write("______________________")
write("")
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