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Fix tests/test_qfit_ligand.py for new solvers
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This test actually runs a QFitLigand job, so needs to know which solver to use.
WARNING: test_qfit_protein.py does not actually run a QFitProtein job,
  so it doesn't need this same mod. It should be re-written.
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blake-riley committed Oct 2, 2023
1 parent 6ab9496 commit bd1666e
Showing 1 changed file with 6 additions and 0 deletions.
6 changes: 6 additions & 0 deletions tests/test_qfit_ligand.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,6 +10,10 @@
setup_logging,
log_run_info,
)
from qfit.solvers import (
available_qp_solvers,
available_miqp_solvers,
)


logger = logging.getLogger(__name__)
Expand Down Expand Up @@ -40,6 +44,8 @@ def mock_main(self):
options = QFitOptions()
options.apply_command_args(args)
options.debug = True # For debugging in tests
options.qp_solver = next(iter(available_qp_solvers.keys()))
options.miqp_solver = next(iter(available_miqp_solvers.keys()))

# Setup logger
setup_logging(options=options, filename="qfit_ligand.log")
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