chemcoord.Cartesian.check_dihedral¶
-
Cartesian.
check_dihedral
(construction_table)¶ Checks, if the dihedral defining atom is colinear.
Checks for each index starting from the third row of the
construction_table
, if the reference atoms are colinear.Parameters: construction_table (pd.DataFrame) – Returns: A list of problematic indices. Return type: list