Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

allow entry and specification names to be passed to get_properties_df #900

Merged
merged 2 commits into from
Mar 1, 2025
Merged

allow entry and specification names to be passed to get_properties_df #900

Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
ddbebd9
allow entry and specification names to be passed to get_properties_df
janash Mar 1, 2025
bd55d92
fix typing, run black
janash Mar 1, 2025
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
21 changes: 19 additions & 2 deletions qcportal/qcportal/dataset_models.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -1996,7 +1996,12 @@ def _check_first():
# Make specification top level index.
return return_val.swaplevel(axis=1)

def get_properties_df(self, properties_list: Sequence[str]) -> "DataFrame":
def get_properties_df(
self,
properties_list: Sequence[str],
entry_names: Sequence[str] | None = None,
specification_names: Sequence[str] | None = None,
) -> "DataFrame":
"""
Retrieve a DataFrame populated with the specified properties from dataset records.

Expand All @@ -2011,6 +2016,12 @@ def get_properties_df(self, properties_list: Sequence[str]) -> "DataFrame":
properties_list
List of property names to retrieve from the records.

entry_names
Entry names to filter records. If not provided, considers all entries.

specification_names
Specification names to filter records. If not provided, considers all specifications.

Returns:
--------
pandas.DataFrame
Expand All @@ -2021,7 +2032,13 @@ def get_properties_df(self, properties_list: Sequence[str]) -> "DataFrame":
extract_properties = lambda x: [x.properties.get(property_name) for property_name in properties_list]

# retrieve values.
result = self.compile_values(extract_properties, value_names=properties_list, unpack=True)
result = self.compile_values(
extract_properties,
value_names=properties_list,
unpack=True,
specification_names=specification_names,
entry_names=entry_names,
)

# Drop columns with all nan values. This will occur if a property that is not part of a
# specification is requested.
Expand Down
Loading