df_rmsd¶
-
hhpy.ds.
df_rmsd
(x: str, df: pandas.core.frame.DataFrame, groups: Union[list, str] = None, hue: str = None, hue_order: list = None, sort_by_hue: bool = True, n_quantiles: int = 10, signif: int = 2, include_rmsd: bool = True, **kwargs) → pandas.core.frame.DataFrame[source]¶ calculate
rmsd()
for reference column x with multiple other columns and return as DataFrame. For a plot seermsdplot()
Parameters: - x – name of the column to calculate the rmsd for
- df – pandas DataFrame containing the data
- groups – groups to calculate the rmsd or, defaults to all other columns in the DataFrame [optional]
- hue – further calculate the rmsd for each hue level [optional]
- hue_order – sort the hue levels in this order [optional]
- sort_by_hue – sort the values by hue rather than by group [optional]
- n_quantiles – numeric columns will be automatically split into this many quantiles [optional]
- signif – how many significant digits to use in quantile splitting [optional]
- include_rmsd – if False provide only a grouped DataFrame but don’t actually calculate the rmsd, you can use include_rmsd=False to save computation time if you only need the maxperc (used in plotting)
- kwargs – passed to
rmsd()
Returns: None
Examples
Check out the example notebook