+ func_rotdiff

TODO

 == Varia and Unsorted ==
 
+
 upgrade yaml-cpp from 0.3 to 0.5
 
 == Building ==

pub/lib/func.cpp

@@ -225,14 +225,6 @@ double func_im_havneg (double v, double a, double g) {
     return pow( 1 + 2*pow(v,a)*cos(M_PI*a/2)+pow(v,2*a), -g/2 ) *
         sin( g*aux_phi_havneg( v, a ) ); }
 
-// EXPERIMENTAL
-double func_im_wz( double x, double y ){
-    return im_w_of_z( x, y );
-}
-double func_re_wz( double x, double y ){
-    return re_w_of_z( x, y );
-}
-
 
 //**************************************************************************//
 //*   Functions of three arguments                                         *//
@@ -301,6 +293,17 @@ double func_rrdm( double wred, double act0, double relwidth ) {
     return ret * da / sqrt(2*PI) / actsig;
 }
 
+double func_rotdiff( double w, double tau, double qb )
+// Rotational diffusion spectrum
+{
+    double ret = 0;
+    for( int l=1; l<=12; ++l ){
+        ret += (2*l+1) * pow( gsl_sf_bessel_jl( l, qb ), 2 ) *
+            l*(l+1)*tau/PI/(SQR(w*tau)+SQR(l*(l+1)));
+    }
+    return ret;
+}
+
 //**************************************************************************//
 //*   Coordinate concatenation                                             *//
 //**************************************************************************//
@@ -569,10 +572,13 @@ void NFunctions::initialize(void)
            "(x,s): the unnormalized Gaussian exp(-x^2/2/s^2)" ).register_me();
     CFunc( "cauchy",  func_cauchy, 0, 0,
            "(x,w): the Cauchy-Lorentz function ?/(x^2+w^2)" ).register_me();
+    CFunc( "rehavneg", func_re_havneg, 0, 0,
+           "(x,y,z): real part of the Havriliak-Negami function"
+        ).register_me();
+    CFunc( "imhavneg", func_im_havneg, 0, 0,
+           "(x,y,z): imaginary part of the Havriliak-Negami function"
+        ).register_me();
 
-    // EXPERIMENTAL
-    CFunc( "imw",    func_im_wz,   0, 0, "im[w(z)]" ).register_me();
-    CFunc( "rew",    func_re_wz,   0, 0, "re[w(z)]" ).register_me();
 
     // f(3 args)
     CFunc( "q4w",      func_q4w, 0, 0,
@@ -602,11 +608,6 @@ void NFunctions::initialize(void)
     CFunc( "rrdm", func_rrdm, 0, 0,
            "(w*t0,EA_mean/T,EA_stdv/EA_mean: rotational rate distribution model"
         ).register_me();
-    CFunc( "rehavneg", func_re_havneg, 0, 0,
-           "(x,y,z): real part of the Havriliak-Negami function"
-        ).register_me();
-    CFunc( "imhavneg", func_im_havneg, 0, 0,
-           "(x,y,z): imaginary part of the Havriliak-Negami function"
-        ).register_me();
+    CFunc( "rotdiff", func_rotdiff, 0, 0,
+           "(w,tau,qb: rotational diffusion spectrum)").register_me();
 }
-