RFactorPathways

class RFactorPathways(rfactor, pws)

Bases: object

Container for RFactor and associated rotsim2d.dressedleaf.Pathway.

Attributes

peak_labels	Combined 2D peak labels for all included pathways.
trans_labels	Combined transition labels for all included pathways.
trans_labels_deg	Combined degenerate transition labels for all included pathways.
rfactor	R-factor associated with these pathways.
pws	List of pathways.
props	Dictionary of pathway properties.
det_angle	Detection angle zeroing this R-factor.

Methods

__init__(rfactor, pws)
add_property(name, d)	Add some property to pathways.
calc_det_angle([angles])	Calculate zeroing detection angle for this R-factor.
from_pwlist(pwlist[, highj, normalize])	Classify pathways in pwlist with respect to R-factors.