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Fix YAML input for top_traj_file: #75

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Merged
harryswift01 merged 2 commits into from
Mar 25, 2025
Merged

Fix YAML input for top_traj_file: #75

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37a568c
Fix YAML input for top_traj_file:
harryswift01 Mar 25, 2025
25e58b8
Merge branch 'main' of https://github.com/CCPBioSim/CodeEntropy into …
harryswift01 Mar 25, 2025
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1 change: 0 additions & 1 deletion CodeEntropy/config/arg_config_manager.py
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Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,6 @@
"type": str,
"nargs": "+",
"help": "Path to Structure/topology file followed by Trajectory file(s)",
"default": [],
},
"selection_string": {
"type": str,
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21 changes: 4 additions & 17 deletions tests/test_EntropyFunctions/test_main_mcc.py
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Expand Up @@ -213,25 +213,12 @@ def test_default_values(self, mock_parse_args):
Test if argument parser assigns default values correctly.
"""
arg_config = ConfigManager()

# Ensure every argument gets a sensible default
default_args = {
arg: params.get("default", False if "action" in params else None)
for arg, params in arg_config.arg_map.items()
}

# Mock argparse to return expected defaults
mock_parse_args.return_value = MagicMock(**default_args)

mock_parse_args.return_value = MagicMock(
top_traj_file=["example.top", "example.traj"]
)
parser = arg_config.setup_argparse()
args = parser.parse_args()

# Compare parsed args with expected defaults
for arg, params in arg_config.arg_map.items():
expected_default = params.get(
"default", False if "action" in params else None
)
self.assertEqual(getattr(args, arg), expected_default)
self.assertEqual(args.top_traj_file, ["example.top", "example.traj"])

@patch(
"argparse.ArgumentParser.parse_args", return_value=MagicMock(top_traj_file=None)
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