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 see rmsdplot()

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