rotsim2d.symbolic.functions

This module contains functions to derive and manipulate SymPy expressions related to polarization dependence and angular momentum dependence of four-fold dipole interaction operator. The derived expressions are in rotsim2d.symbolic.results.

Miscellaneous functions

gfactor_expr(ji, jj, jk, jl, k)	Call rotsim2d.couple.G() with symbolic sqrt.
T1q(q, ph)	Linear polarization spherical tensor component q.
T00_phis(k, phis)	k-th component of isotropic four-fold polarization tensor.
dl_gfactors(dl[, evalf, abstract])	Return G-factors for a rotsim2d.dressedleaf.Pathway.
dl_T00s(dl, angles[, evalf])	Return polarization components a rotsim2d.dressedleaf.Pathway.

RFactor

RFactor(coeffs[, angles])

Attributes

RFactor.expr	SymPy expressions for R-factor.
RFactor.dict	'c0', 'c12', 'c13', 'c14'.
RFactor.tuple	Tuple of coefficients (c0, c12, c13, c14).
RFactor.trigs	Sympy expressions for cosines of 4 angles present in expression for the R-factor.
RFactor.angles	SymPy symbols for 4 angles.
RFactor.angles_type	Kind of angles, either 'dummy' (phis) or 'experimental` (thetas).

Methods

RFactor.from_gterms(gterms[, pterms, angles])	Make RFactor from G-factor and polarization terms.
RFactor.from_expr(rexpr[, angles])	Make RFactor from R-factor expression.
RFactor.from_pathway(pw[, highj, normalize, ...])	Return R-factor corresponding to rotsim2d.dressedleaf.Pathway.
RFactor.dict_to_expr()	Regenerate expression from dict.
RFactor.expr_xxxx()	Return R-factor expression for XXXX polarization.
RFactor.expr_relative()	Return R-factor expressions relative to XXXX polarization.
RFactor.numeric(thetai, thetaj, thetak, thetal)	Try to efficiently evaluate R-factor with NumPy.
RFactor.numeric_rel(thetai, thetaj, thetak, ...)	Try to efficiently evaluate relative R-factor with NumPy.
RFactor.det_angle([angles])	Return expr.

Top-level functions

classify_dls(dressed_pws, rfactors[, states])	Return a mapping between R-factors and pathways in dressed_pws.
solve_det_angle(rexpr[, angles])	Return expr.
suppression_angles(exprs[, angles])	Return roots of expressions in exprs with respect to detection angle.
common_angles(exprs[, angles_vars])	Find angles simultaneously zeroing all in exprs.
classify_suppression(classified, angles)	Return a map between suppression angles and pathways.
pathway_angles(pws, angles[, angles_vars])	Return a map between detection angles and elements of pws they suppress.
detection_angles(angles[, meths, angles_vars])	Zeroing det.

RFactorPathways

RFactorPathways(rfactor, pws)

Container for RFactor and associated rotsim2d.dressedleaf.Pathway.

Attributes

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

Methods

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

Top-level functions

calc_rfactors(rf_pw, *args, **kwargs)	Calculate J-dependent R-factors and uniquify them.
calc_angle_funcs(rf_pw, angles)	Generate J-dependent zeroing angle functions.
calc_angle_amps(rf_pw, angles_num, js)	Calculate geometric amplitudes for specific angles and J_i values.
calc_relative_exprs(rf_pw, angles)	Calculate relative amplitudes for specified angles.
calc_amplitude_exprs(rf_pw, angles[, norm])	Calculate pathway amplitude expressions.
optimize_contrast(rfpws_min, rfpws_max, ...)	Optimize contrast between two sets of R-factors.

Rotational coherence functions