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Fix input_pdb path in design_macrocyclic_binder and fix incorrect call to res in test_diffusion.py
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examples/design_macrocyclic_binder.sh

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Original file line numberDiff line numberDiff line change
@@ -9,7 +9,7 @@
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inference.output_prefix=example_outputs/diffused_binder_cyclic2 \
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inference.num_designs=2 \
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'contigmap.contigs=[12-18 A3-117/0]' \
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inference.input_pdb=/input_pdbs/7zkr_GABARAP.pdb \
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inference.input_pdb=./input_pdbs/7zkr_GABARAP.pdb \
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inference.cyclic=True \
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diffuser.T=50 \
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inference.cyc_chains='a' \

tests/test_diffusion.py

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@@ -53,7 +53,7 @@ def setUp(self):
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for bash_file in sorted( glob.glob(f"{self.out_f}/*.sh"), reverse=False):
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test_name = os.path.basename(bash_file)[:-len('.sh')]
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res, output = execute(f"Running {test_name}", f'bash {bash_file}', return_='tuple', add_message_and_command_line_to_output=True)
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self.exec_status[test_name] = (exit_code, output)
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self.exec_status[test_name] = (res, output)
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self.results[test_name] = dict(
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state = 'failed' if res else 'passed',

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