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secondary structure analysis fix #153

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Aug 8, 2024
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now that we are here, also corrected the path registry bug in the rdf…
… tool
Jgmedina95 committed Aug 8, 2024
commit 7e0a9c965c42288000e57357db07f6083e05ae6b
6 changes: 3 additions & 3 deletions mdagent/tools/base_tools/analysis_tools/rdf_tool.py
Original file line number Diff line number Diff line change
@@ -96,11 +96,11 @@ def _run(self, **input):
Log_id=trajectory_id,
)
fig_id = self.path_registry.get_fileid(plot_name, type=FileType.FIGURE)

plt.savefig(f"{self.path_registry.ckpt_figures}/rdf_{trajectory_id}.png")
file_path = f"{self.path_registry.ckpt_figures}/rdf_{trajectory_id}.png"
plt.savefig(file_path)
self.path_registry.map_path(
fig_id,
plot_name,
file_path,
description=f"RDF plot for the trajectory file with id: {trajectory_id}",
)
plt.close()