RFactor.from_pathway#

classmethod RFactor.from_pathway(pw, highj=False, normalize=False, only_angles=False, rotated=None)[source]#

Return R-factor corresponding to rotsim2d.dressedleaf.Pathway.

Parameters:

  • pw (Pathway) – Pathway or DressedPathway.

  • highj (bool) – Use high-J limit versions of G-factors.

  • normalize (bool) – Make the sign of the common factor positive and flip the signs of the coefficients if the c12 coefficient is negative.

  • only_angles (bool) – Set ‘c00’ to 1.