Author: tlinnet Date: Tue May 6 17:25:05 2014 New Revision: 23012 URL: http://svn.gna.org/viewcvs/relax?rev=23012&view=rev Log: Speed-up. Converted expressions of complex(x, y) to (x + y*1j). sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales. This follows the tutorial for adding relaxation dispersion models at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging Modified: trunk/lib/dispersion/b14.py Modified: trunk/lib/dispersion/b14.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=23012&r1=23011&r2=23012&view=diff ============================================================================== --- trunk/lib/dispersion/b14.py (original) +++ trunk/lib/dispersion/b14.py Tue May 6 17:25:05 2014 @@ -163,7 +163,7 @@ # Time independent factors. # N = oG + oE. - N = complex(g3, g4) + N = g3 + g4*1j NNc = g32 + g42 @@ -176,13 +176,13 @@ # t1 = (-dw + g4) * (complex(-dw, -g3)) / NNc #t1. # t2. - t2 = (dw + g4) * complex(dw, -g3) / NNc + t2 = (dw + g4) * (dw - g3*1j) / NNc # t1 + t2. - t1pt2 = complex(2. * dw2, zeta) / NNc + t1pt2 = (2. * dw2 + zeta*1j) / NNc # -2 * oG * t2. - oGt2 = complex(-alpha_m - g3, dw - g4) * t2 + oGt2 = t2 * (-alpha_m - g3 ) + t2 * (dw - g4)*1j # -1/Trel * log(LpreDyn). Rpre = (r20a + r20b + kex) / 2.0 @@ -195,13 +195,13 @@ E2 = two_tcp * g4 # Mixed term (complex) (E0 - iE2)/2. - E1 = complex(g3, -g4) * tcp + E1 = (g3 - g4*1j) * tcp # Real. The v_1c in paper. ex0b = f0 * cosh(E0) - f2 * cos(E2) # Complex. - ex0c = f0 * sinh(E0) - f2 * sin(E2) * complex(0, 1.0) + ex0c = f0 * sinh(E0) - f2 * sin(E2)*1j # Complex. ex1c = sinh(E1) @@ -212,7 +212,7 @@ y = power( (ex0b - v3) / (ex0b + v3), ncyc) # Off diagonal common factor. sinh fuctions. - v2pPdN = complex(-deltaR2 + kex, dw) * ex0c + (-oGt2 - k_AB * t1pt2) * 2. * ex1c + v2pPdN = (-deltaR2 + kex + dw*1j) * ex0c + (-oGt2 - k_AB * t1pt2) * 2. * ex1c Tog = (1. + y) / 2. + (1. - y) / (2. * v3) * v2pPdN / N