QuAcc/quacc/utils.py

31 lines
835 B
Python

import functools
import pandas as pd
def combine_dataframes(*dfs, df_index=[]) -> pd.DataFrame:
if len(dfs) < 1:
raise ValueError
if len(dfs) == 1:
return dfs[0]
df = dfs[0]
for ndf in dfs[1:]:
df = df.join(ndf.set_index(df_index), on=df_index)
return df
def avg_group_report(df: pd.DataFrame) -> pd.DataFrame:
def _reduce_func(s1, s2):
return {
(n1, n2): v + s2[(n1, n2)] for ((n1, n2), v) in s1.items()
}
lst = df.to_dict(orient="records")[1:-1]
summed_series = functools.reduce(_reduce_func, lst)
idx = df.columns.drop([("base", "T"), ("base", "F")])
avg_report = {
(n1, n2): (v / len(lst))
for ((n1, n2), v) in summed_series.items()
if n1 != "base"
}
return pd.DataFrame([avg_report], columns=idx)