Skip to content

Commit

Permalink
fixed rgy bug with saving path in path registry
Browse files Browse the repository at this point in the history
  • Loading branch information
qcampbel committed Oct 2, 2024
1 parent 0e66254 commit a818712
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion mdagent/tools/base_tools/analysis_tools/rgy.py
Original file line number Diff line number Diff line change
Expand Up @@ -69,6 +69,7 @@ def plot_rgy(self) -> str:
if plot_name.endswith(".png"):
plot_name = plot_name.split(".png")[0]
plot_path = f"{self.path_registry.ckpt_figures}/{plot_name}"
print("plot_path", plot_path)
plt.plot(rg_per_frame)
plt.xlabel("Frame")
plt.ylabel("Radius of Gyration (nm)")
Expand All @@ -77,7 +78,7 @@ def plot_rgy(self) -> str:
plt.savefig(f"{plot_path}")
self.path_registry.map_path(
plot_id,
plot_path,
plot_path + ".png",
description=f"Plot of radii of gyration over time for {self.traj_file}",
)
plt.close()
Expand Down

0 comments on commit a818712

Please sign in to comment.