schrodinger.application.bioluminate.pose_filtering.csv_filter module¶
- class schrodinger.application.bioluminate.pose_filtering.csv_filter.FilterParameters(column_name, operator_name, value)¶
Bases:
tuple- column_name: str¶
Alias for field number 0
- operator_name: str¶
Alias for field number 1
- value: Union[str, int, float]¶
Alias for field number 2
- __contains__(key, /)¶
Return key in self.
- __len__()¶
Return len(self).
- count(value, /)¶
Return number of occurrences of value.
- index(value, start=0, stop=9223372036854775807, /)¶
Return first index of value.
Raises ValueError if the value is not present.
- schrodinger.application.bioluminate.pose_filtering.csv_filter.filter_csv(csv_fname: str, filter_params_list: List[schrodinger.application.bioluminate.pose_filtering.csv_filter.FilterParameters]) pandas.core.frame.DataFrame¶
Return a dataframe containing only the rows that pass the filters.
- Parameters
csv_fname – Path to a csv file with data for the poses in
pose_fnamefilter_params – The parameters with which to filter rows from the CSV
- schrodinger.application.bioluminate.pose_filtering.csv_filter.filter_structures(pose_fname: str, csv_fname: str, filter_params_list: List[schrodinger.application.bioluminate.pose_filtering.csv_filter.FilterParameters]) List[schrodinger.structure._structure.Structure]¶
Return any structures from the pose file that meet the CSV filter parameters.
- Parameters
pose_fname – Path to a structure file containing poses
csv_fname – Path to a csv file with data for the poses in
pose_fnamefilter_params – The parameters with which to filter rows from the CSV
- Raises
ValueError if there are no titles in common between the structure file and the CSV.