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Merge pull request #87 from Erastova-group/analysis_fixes
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Update plots
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hp115 authored Jun 18, 2024
2 parents fd20d82 + abd2b33 commit b32a2c7
Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions package/ClayCode/plot/plots.py
Original file line number Diff line number Diff line change
Expand Up @@ -6164,7 +6164,7 @@ def _get_edges(
logger.info(f"Getting peaks edges for {atom_types}")
for atom_type in atom_types:
outname = self._get_edge_fname(
atom_type=atom_type, other=other, name="pe"
atom_type=atom_type, other=other, name="edges"
)
if not outname.is_file():
if atom_type == "OT":
Expand Down Expand Up @@ -6321,7 +6321,7 @@ def _read_edge_file(
if other is not None and isinstance(other, list):
other = other[0]
fname = self._get_edge_fname(
atom_type, name="pe", other=other, clay_type=clay_type
atom_type, name="edges", other=other, clay_type=clay_type
)
if fname.exists():
break
Expand Down Expand Up @@ -12421,7 +12421,7 @@ def _update_edges(self, df):
drop_level=False,
)
bin_df.loc[slice.index, "x_bins"] = pd.cut(
slice.index.get_level_values("x").unique(),
slice.index.get_level_values("x"), # .unique(),
bins=self.data.edges[atom][clay][other],
)
else:
Expand All @@ -12431,7 +12431,7 @@ def _update_edges(self, df):
drop_level=False,
)
bin_df.loc[slice.index, "x_bins"] = pd.cut(
slice.index.get_level_values("x").unique(),
slice.index.get_level_values("x"), # .unique(),
bins=self.data.edges[atom][clay],
)
# x_bins = bin_df.groupby(['_atoms', 'clays'], sort=False, group_keys=False).apply(lambda x: pd.cut(x['x'], bins=self.data.edges[x.name[0]][x.name[1]]))
Expand Down

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