diff --git a/pub/lib/func.cpp b/pub/lib/func.cpp
index c0ea3bddc43d19e28cb5e9a3e63c58a13f067846..bb5719e0c8cae503b63303eb162239dadd1ec1ca 100644
--- a/pub/lib/func.cpp
+++ b/pub/lib/func.cpp
@@ -71,7 +71,9 @@ double func_exp(double v) { return exp(v); }
void func_exp(double& r, double& dr, double v, double dv) { r=exp(v); dr=dv*r; }
double func_sin(double v) { return sin(v); }
+void func_sin(double& r, double& dr, double v, double dv) { r=sin(v); dr=dv*fabs(cos(v)); }
double func_cos(double v) { return cos(v); }
+void func_cos(double& r, double& dr, double v, double dv) { r=cos(v); dr=dv*fabs(sin(v)); }
double func_tan(double v) { return tan(v); }
double func_cot(double v) { double t=tan(v); return t==0?0:1/t;}
@@ -99,7 +101,7 @@ double func_j0(double v) { return v==0 ? 1 : sin(v)/v; }
double func_j1(double v) { return v==0 ? 1 : (sin(v)/v-cos(v))/v; }
double func_fac(double v) { return v>-.5 ? gsl_sf_gamma(round(v+1)) : 0; }
-double func_cata(double v) {
+double func_cata(double v) { // Catalan number ?
if ( v<=-.5 )
return 0;
double x = round(v);
@@ -159,8 +161,7 @@ int func_exit_unless( int a ) { if(!a) exit(0); return 0; }
//**************************************************************************************************
//double func_pm(double v, double a) { return v; }
-void func_pm(double& r, double& dr, double v, double dv, double a, double da)
-{ r=v; dr=a; }
+void func_pm(double& r, double& dr, double v, double a){ r=v; dr=a; }
template<class A>
A func_add(A v, A a) { return v+a; }
@@ -569,8 +570,28 @@ void register_fct_e_ee( const char* _tag, func_e_ee _f )
register_fct_template( _tag, "e", "ee", (void*)_f );
}
+void register_fct_d_ddd( const char* _tag, func_d_ddd _f )
+{
+ register_fct_template( _tag, "d", "ddd", (void*)_f );
+}
+
+void register_fct_e_eee( const char* _tag, func_e_eee _f )
+{
+ register_fct_template( _tag, "e", "eee", (void*)_f );
+}
+
void NFunctions::initialize(void)
{
+// TODO: not yet reimplemented:
+ /*
+ (new CFunc2( "over",func_over, 0, 5 ))->register_me();
+ (new CFunc2( "/", func_div, func_div, 6 ))->register_me();
+ (new CFunc2( "mod", func_mod, 0, 6 ))->register_me();
+ (new CFunc2( "div", func_idiv, 0, 6 ))->register_me();
+ (new CFunc2( "xor", func_xor, 0, 10 ))->register_me();
+ (new CFunc3( "?:", func_cond, func_cond, 13 ))->register_me();
+ */
+
// operators by precedence (which should agree with xax_yacc.ypp):
register_fct_meta ( "+-", 2, "(x,y): x+-y [set error]", 1 );
register_fct_e_dd ( "+-", func_pm );
@@ -629,187 +650,163 @@ void NFunctions::initialize(void)
register_fct_i_i ( "exit_if", func_exit_if );
register_fct_meta ( "exit_unless", 1, "(x): exit(0) if !x" );
register_fct_i_i ( "exit_unless", func_exit_unless );
- register_fct_meta ( "min", 2, "(x,y): return the smaller of x and y [minimum]" );
- register_fct_i_ii ( "min", func_min );
- register_fct_d_dd ( "min", func_min );
- register_fct_meta ( "max", 2, "(x,y): return the larger of x and y [maximum]" );
- register_fct_i_ii ( "max", func_max );
- register_fct_d_dd ( "max", func_max );
-
-// NFunctions::CastMap.insert(
- /*
- // operators by precedence (as in xax_yacc.ypp):
- (new CFunc2( "+-", func_pm, func_pm, 1 ))->register_me();
- (new CFunc2( "^", func_pow, func_pow, 2 ))->register_me();
- (new CFunc1( "!", func_not, 0, 3 ))->register_me();
- (new CFunc1( "neg", func_neg, func_neg, 4 ))->register_me();
- (new CFunc2( "over",func_over, 0, 5 ))->register_me();
- (new CFunc2( "*", func_mul, func_mul, 6 ))->register_me();
- (new CFunc2( "/", func_div, func_div, 6 ))->register_me();
- (new CFunc2( "mod", func_mod, 0, 6 ))->register_me();
- (new CFunc2( "div", func_idiv, 0, 6 ))->register_me();
- (new CFunc2( "+", func_add, func_add, 7 ))->register_me();
- (new CFunc2( "-", func_sub, func_sub, 7 ))->register_me();
- (new CFunc2( ">", func_gt, 0, 8 ))->register_me();
- (new CFunc2( ">=", func_ge, 0, 8 ))->register_me();
- (new CFunc2( "<", func_lt, 0, 8 ))->register_me();
- (new CFunc2( "<=", func_le, 0, 8 ))->register_me();
- (new CFunc2( "==", func_eq, 0, 9 ))->register_me();
- (new CFunc2( "!=", func_ne, 0, 9 ))->register_me();
- (new CFunc2( "xor", func_xor, 0, 10 ))->register_me();
- (new CFunc2( "&&", func_and, 0, 11 ))->register_me();
- (new CFunc2( "||", func_or , 0, 12 ))->register_me();
- (new CFunc3( "?:", func_cond, func_cond, 13 ))->register_me();
// f( 1 arg )
- (new CFunc1( "ln", func_ln, func_ln, 0,
- "(x): natural logarithm of x, or 0 if x<=0" ))->register_me();
- (new CFunc1( "lg", func_lg, func_lg, 0,
- "(x): decadic logarithm of x, or 0 if x<=0" ))->register_me();
- (new CFunc1( "sqrt", func_sqrt, func_sqrt, 0,
- "(x): square root of x, or 0 if x<0" ))->register_me();
- (new CFunc1( "abs", func_abs, func_abs, 0,
- "(x): absolute value of x" ))->register_me();
- (new CFunc1( "abs", func_sign, func_sign, 0,
- "(x): sign of x" ))->register_me();
- (new CFunc1( "exp", func_exp, func_exp, 0,
- "(x): exponential function of x" ))->register_me();
- (new CFunc1( "sin", func_sin, 0, 0,
- "(x): sine of x (where x in radian)" ))->register_me();
- (new CFunc1( "cos", func_cos, 0, 0,
- "(x): cosine of x (where x in radian)" ))->register_me();
- (new CFunc1( "tan", func_tan, 0, 0,
- "(x): tangent of x (where x in radian)" ))->register_me();
- (new CFunc1( "cot", func_cot, 0, 0,
- "(x): cotangent of x (where x in radian)" ))->register_me();
- (new CFunc1( "sind", func_sind, 0, 0,
- "(x): sine of x (where x in degrees)" ))->register_me();
- (new CFunc1( "cosd", func_cosd, 0, 0,
- "(x): cosine of x (where x in degrees)" ))->register_me();
- (new CFunc1( "tand", func_tand, 0, 0,
- "(x): tangent of x (where x in degrees)" ))->register_me();
- (new CFunc1( "cotd", func_cotd, 0, 0,
- "(x): cotangent of x (where x in degrees)" ))->register_me();
- (new CFunc1( "asin", func_asin, 0, 0,
- "(x): arc sine of x (result is in radian; return 0 if |x|>1)"
- ))->register_me();
- (new CFunc1( "acos", func_acos, 0, 0,
- "(x): arc cosine of x (result is in radian; return 0 if |x|>1)"
- ))->register_me();
- (new CFunc1( "atan", func_atan, 0, 0,
- "(x): arc tangent of x (result is in radian)" ))->register_me();
- (new CFunc1( "acot", func_acot, 0, 0,
- "(x): arc cotangent of x (result is in radian)" ))->register_me();
- (new CFunc1( "asind", func_asind, 0, 0,
- "(x): arc sine of x (result is in degrees; return 0 if |x|>1)"
- ))->register_me();
- (new CFunc1( "acosd", func_acosd, 0, 0,
- "(x): arc cosine of x (result is in degrees; return 0 if |x|>1)"
- ))->register_me();
- (new CFunc1( "atand", func_atand, 0, 0,
- "(x): arc tangent of x (result is in degrees)" ))->register_me();
- (new CFunc1( "acotd", func_acotd, 0, 0,
- "(x): arc cotangent of x (result is in degrees)" ))->register_me();
- (new CFunc1( "sinh", func_sinh, 0, 0,
- "(x): hyperbolic sine of x" ))->register_me();
- (new CFunc1( "cosh", func_cosh, 0, 0,
- "(x): hyperbolic cosine of x" ))->register_me();
- (new CFunc1( "tanh", func_tanh, 0, 0,
- "(x): hyperbolic tangent of x" ))->register_me();
- (new CFunc1( "coth", func_coth, 0, 0,
- "(x): hyperbolic tangent of x" ))->register_me();
- (new CFunc1( "j0", func_j0, 0, 0,
- "(x): spherical Bessel function x" ))->register_me();
- (new CFunc1( "j1", func_j1, 0, 0,
- "(x): spherical Bessel function x" ))->register_me();
- (new CFunc1( "fac",func_fac, 0, 0,
- "(x): factorial of nearest integer of x" ))->register_me();
- (new CFunc1( "cata",func_cata, 0, 0,
- "(x): Catalan number of nearest integer of x" ))->register_me();
- (new CFunc1( "gamma",func_gamma, 0, 0,
- "(x): gamma function of x (i.e. factorial of x-1)" ))->register_me();
- (new CFunc1( "lgamma",func_lgamma, 0, 0,
- "(x): ln of gamma of x" ))->register_me();
- (new CFunc1( "debye1",func_debye1, 0, 0,
- "(x): Debye function D1 of x" ))->register_me();
- (new CFunc1( "debye3",func_debye3, 0, 0,
- "(x): Debye function D3 of x" ))->register_me();
- (new CFunc1( "debyeu2",func_debye_msd, 0, 0,
- "(x): Debye mean squared displacement's temperature dependence"
- ))->register_me();
- (new CFunc1( "debyeui",func_debye_ui, 0, 0,
- "(x): Debye internal energy" ))->register_me();
- (new CFunc1( "debyecv",func_debye_cv, 0, 0,
- "(x): Debye heat capacity" ))->register_me();
- (new CFunc1( "erfP", func_erfP, 0, 0,
- "(x): ?" ))->register_me();
- (new CFunc1( "erfQ", func_erfQ , 0, 0,
- "(x): ?" ))->register_me();
- (new CFunc1( "erf", func_erf, 0, 0,
- "(x): error function of x" ))->register_me();
- (new CFunc1( "erfc", func_erfc, 0, 0,
- "(x): complementary error function of x" ))->register_me();
- (new CFunc1( "dawson", func_dawson, 0, 0,
- "(x): Dawson function of x" ))->register_me();
- (new CFunc1( "sinc", func_sinc, 0, 0,
- "(x): sinus cardinalis, sin(x)/x" ))->register_me();
- (new CFunc1( "ceil", func_ceil, 0, 0,
- "(x): the smallest integer i with i>=x" ))->register_me();
- (new CFunc1( "floor",func_floor, 0, 0,
- "(x): the largest integer i with i<=x" ))->register_me();
- (new CFunc1( "nint", func_nint, 0, 0,
- "(x): the integer nearest to x" ))->register_me();
-
- (new CFunc1( "diehl", func_diehl, 0, 0,
- "(cauchywid/gausswid): normalized convolution gauss(*)cauchy" ))->register_me();
- (new CFunc1( "lndiehl", func_lndiehl, 0, 0,
- "(cauchywid/gausswid): ln of normalized convolution gauss(*)cauchy" ))->register_me();
-
- (new CFunc1( "exit", func_exit, 0, 0,
- "(x): exit with return value nint(x)" ))->register_me();
-
+ register_fct_meta ( "ln", 1, "(x): natural logarithm of x, or 0 if x<=0" );
+ register_fct_d_d ( "ln", func_ln );
+ register_fct_e_e ( "ln", func_ln );
+ register_fct_meta ( "lg", 1, "(x): decadic logarithm of x, or 0 if x<=0" );
+ register_fct_d_d ( "lg", func_lg );
+ register_fct_e_e ( "lg", func_lg );
+ register_fct_meta ( "sqrt", 1, "(x): square root of x, or 0 if x<0" );
+ register_fct_d_d ( "sqrt", func_sqrt );
+ register_fct_e_e ( "sqrt", func_sqrt );
+ register_fct_meta ( "abs", 1, "(x): absolute value of x" );
+ register_fct_i_i ( "abs", func_abs );
+ register_fct_d_d ( "abs", func_abs );
+ register_fct_e_e ( "abs", func_abs );
+ register_fct_meta ( "sign", 1, "(x): sign of x" );
+ register_fct_i_i ( "sign", func_sign );
+ register_fct_d_d ( "sign", func_sign );
+ register_fct_e_e ( "sign", func_sign );
+ register_fct_meta ( "exp", 1, "(x): exponential function of x" );
+ register_fct_d_d ( "exp", func_exp );
+ register_fct_e_e ( "exp", func_exp );
+ register_fct_meta ( "sin", 1, "(x): sine of x (where x in radian)" );
+ register_fct_d_d ( "sin", func_sin );
+ register_fct_e_e ( "sin", func_sin );
+ register_fct_meta ( "cos", 1, "(x): cosine of x (where x in radian)" );
+ register_fct_d_d ( "cos", func_cos );
+ register_fct_e_e ( "cos", func_cos );
+ register_fct_meta ( "tan", 1, "(x): tangent of x (where x in radian)" );
+ register_fct_d_d ( "tan", func_tan );
+ register_fct_meta ( "cot", 1, "(x): cotangent of x (where x in radian)" );
+ register_fct_d_d ( "cot", func_cot );
+ register_fct_meta ( "sind", 1, "(x): sine of x (where x in degrees)" );
+ register_fct_d_d ( "sind", func_sind );
+ register_fct_meta ( "cosd", 1, "(x): cosine of x (where x in degrees)" );
+ register_fct_d_d ( "cosd", func_cosd );
+ register_fct_meta ( "tand", 1, "(x): tangent of x (where x in degrees)" );
+ register_fct_d_d ( "tand", func_tand );
+ register_fct_meta ( "cotd", 1, "(x): cotangent of x (where x in degrees)" );
+ register_fct_d_d ( "cotd", func_cotd );
+ register_fct_meta ( "asin", 1, "(x): arc sine of x (result is in radian; 0 if |x|>1)" );
+ register_fct_d_d ( "asin", func_asin );
+ register_fct_meta ( "acos", 1, "(x): arc cosine of x (result is in radian; 0 if |x|>1)" );
+ register_fct_d_d ( "acos", func_acos );
+ register_fct_meta ( "atan", 1, "(x): arc tangent of x (result is in radian)" );
+ register_fct_d_d ( "atan", func_atan );
+ register_fct_meta ( "acot", 1, "(x): arc cotangent of x (result is in radian)" );
+ register_fct_d_d ( "acot", func_acot );
+ register_fct_meta ( "asind", 1, "(x): arc sine of x (result is in degrees; 0 if |x|>1)" );
+ register_fct_d_d ( "asind", func_asind );
+ register_fct_meta ( "acosd", 1, "(x): arc cosine of x (result is in degrees; 0 if |x|>1)" );
+ register_fct_d_d ( "acosd", func_acosd );
+ register_fct_meta ( "atand", 1, "(x): arc tangent of x (result is in degrees)" );
+ register_fct_d_d ( "atand", func_atand );
+ register_fct_meta ( "acotd", 1, "(x): arc cotangent of x (result is in degrees)" );
+ register_fct_d_d ( "acotd", func_acotd );
+ register_fct_meta ( "sinh", 1, "(x): hyperbolic sine of x" );
+ register_fct_d_d ( "sinh", func_sinh );
+ register_fct_meta ( "cosh", 1, "(x): hyperbolic cosine of x" );
+ register_fct_d_d ( "cosh", func_cosh );
+ register_fct_meta ( "tanh", 1, "(x): hyperbolic tangent of x" );
+ register_fct_d_d ( "tanh", func_tanh );
+ register_fct_meta ( "coth", 1, "(x): hyperbolic tangent of x" );
+ register_fct_d_d ( "coth", func_coth );
+ register_fct_meta ( "j0", 1, "(x): spherical Bessel function x" );
+ register_fct_d_d ( "j0", func_j0 );
+ register_fct_meta ( "j1", 1, "(x): spherical Bessel function x" );
+ register_fct_d_d ( "j1", func_j1 );
+ register_fct_meta ( "fac", 1, "(x): factorial of nearest integer of x" );
+ register_fct_d_d ( "fac", func_fac );
+ register_fct_meta ( "cata", 1, "(x): Catalan number of nearest integer of x" );
+ register_fct_d_d ( "cata", func_cata );
+ register_fct_meta ( "gamma", 1, "(x): gamma function of x (i.e. factorial of x-1)" );
+ register_fct_d_d ( "gamma", func_gamma );
+ register_fct_meta ( "lgamma", 1, "(x): ln of gamma of x" );
+ register_fct_d_d ( "lgamma", func_lgamma );
+ register_fct_meta ( "debye1", 1, "(x): Debye function D1 of x" );
+ register_fct_d_d ( "debye1", func_debye1 );
+ register_fct_meta ( "debye3", 1, "(x): Debye function D3 of x" );
+ register_fct_d_d ( "debye3", func_debye3 );
+ register_fct_meta ( "debyeu2", 1, "(x): Debye mean squared displacement's temperature dependence" );
+ register_fct_d_d ( "debyeu2", func_debye_msd );
+ register_fct_meta ( "debyeui", 1, "(x): Debye internal energy" );
+ register_fct_d_d ( "debyeui", func_debye_ui );
+ register_fct_meta ( "debyecv", 1, "(x): Debye heat capacity" );
+ register_fct_d_d ( "debyecv", func_debye_cv );
+ register_fct_meta ( "erfP", 1, "(x): ?" );
+ register_fct_d_d ( "erfP", func_erfP );
+ register_fct_meta ( "erfQ", 1, "(x): ?" );
+ register_fct_d_d ( "erfQ", func_erfQ );
+ register_fct_meta ( "erf", 1, "(x): error function of x" );
+ register_fct_d_d ( "erf", func_erf );
+ register_fct_meta ( "erfc", 1, "(x): complementary error function of x" );
+ register_fct_d_d ( "erfc", func_erfc );
+ register_fct_meta ( "dawson", 1, "(x): Dawson function of x" );
+ register_fct_d_d ( "dawson", func_dawson );
+ register_fct_meta ( "sinc", 1, "(x): sinus cardinalis, sin(x)/x" );
+ register_fct_d_d ( "sinc", func_sinc );
+ register_fct_meta ( "ceil", 1, "(x): the smallest integer i with i>=x" );
+ register_fct_d_d ( "ceil", func_ceil );
+ register_fct_meta ( "floor", 1, "(x): the largest integer i with i<=x" );
+ register_fct_d_d ( "floor", func_floor );
+ register_fct_meta ( "nint", 1, "(x): the integer nearest to x" );
+ register_fct_d_d ( "nint", func_nint );
+
+ register_fct_meta ( "diehl", 1, "(cauchywid/gausswid): normalized convolution gauss(*)cauchy" );
+ register_fct_d_d ( "diehl", func_diehl );
+ register_fct_meta ( "lndiehl", 1, "(cauchywid/gausswid): ln of normalized convolution gauss(*)cauchy" );
+ register_fct_d_d ( "lndiehl", func_lndiehl );
+
+ register_fct_meta ( "exit", 1, "(x): exit with return value nint(x)" );
+ register_fct_i_i ( "exit", func_exit );
+ register_fct_meta ( "exit_if", 1, "(x): exit(0) if x" );
+ register_fct_i_i ( "exit_if", func_exit_if );
+ register_fct_meta ( "exit_unless", 1, "(x): exit(0) if !x" );
+ register_fct_i_i ( "exit_unless", func_exit_unless );
// f(2 args)
- (new CFunc2( "min2", func_min, 0, 0,
- "(x,y): the smaller of the two arguments x and y" ))->register_me();
- (new CFunc2( "max2", func_max, 0, 0,
- "(x,y): the smaller of the two arguments x and y" ))->register_me();
- (new CFunc2( "ran", func_ran, 0, 0,
- "(x,y): a random number between x and y" ))->register_me();
-
- (new CFunc2( "gauss", func_gauss, 0, 0,
- "(x,s): the normalized Gaussian exp(-x^2/2/s^2)/sqrt(2 pi)/s"
- ))->register_me();
- (new CFunc2( "gnn", func_gaussnn, 0, 0,
- "(x,s): the unnormalized Gaussian exp(-x^2/2/s^2)" ))->register_me();
- (new CFunc2( "cauchy", func_cauchy, 0, 0,
- "(x,w): the Cauchy-Lorentz function ?/(x^2+w^2)" ))->register_me();
-
+ register_fct_meta ( "min2", 2, "(x,y): the smaller of the two arguments x and y" );
+ register_fct_i_ii ( "min2", func_min );
+ register_fct_d_dd ( "min2", func_min );
+ register_fct_meta ( "max2", 2, "(x,y): the smaller of the two arguments x and y" );
+ register_fct_i_ii ( "max2", func_max );
+ register_fct_d_dd ( "max2", func_max );
+ register_fct_meta ( "ran", 2, "(x,y): a random number between x and y" );
+ register_fct_d_dd ( "ran", func_ran );
+
+ register_fct_meta ( "gauss", 2, "(x,s): the normalized Gaussian exp(-x^2/2/s^2)/sqrt(2 pi)/s" );
+ register_fct_d_dd ( "gauss", func_gauss );
+ register_fct_meta ( "gnn", 2, "(x,s): the unnormalized Gaussian exp(-x^2/2/s^2)" );
+ register_fct_d_dd ( "gnn", func_gaussnn );
+ register_fct_meta ( "cauchy", 2, "(x,w): the Cauchy-Lorentz function ?/(x^2+w^2)" );
+ register_fct_d_dd ( "cauchy", func_cauchy );
// f(3 args)
- (new CFunc3( "rehavneg", func_re_havneg, 0, 0,
- "(x,y,z): real part of the Havriliak-Negami function" ))->register_me();
- (new CFunc3( "imhavneg", func_im_havneg, 0, 0,
- "(x,y,z): imaginary part of the Havriliak-Negami function" ))->register_me();
- (new CFunc3( "q4w", func_q4w, 0, 0,
- "(x,y,z): ?" ))->register_me();
- (new CFunc3( "cauchy2", func_cauchy2, 0, 0,
- "(x,y,z): ?" ))->register_me();
- (new CFunc3( "kwwc", func_kwwc, 0, 0,
- "(w,tau,b): Fourier cosine transform (t->w) of exp((t/tau)^b)" ))->register_me();
- (new CFunc3( "kwws", func_kwws, 0, 0,
- "(w,tau,b): Fourier sine transform (t->w) of exp((t/tau)^b)" ))->register_me();
- (new CFunc3( "kwwp", func_kwwp, 0, 0,
- "(w,tau,b): primitive of Fourier cosine transform (t->w) of exp((t/tau)^b)" ))->register_me();
- (new CFunc3( "voigt", func_voigt, 0, 0,
- "(x,sigma,gamma): convolution of Gaussian(x,sigma) and Lorentzian(x,gamma)" ))->register_me();
- (new CFunc3( "zorn", func_zorn, 0, 0,
- "(I,<I>,s): Zorn's multiple-scattering corrected elastic intensity" ))->register_me();
- (new CFunc3( "zorn2", func_zorn_gauss, 0, 0,
- "(q,<u^2>,s): Zorn's multiple-scattering corrected Gaussian elastic intensity for Si111" ))->register_me();
- (new CFunc3( "rrdm", func_rrdm, 0, 0,
- "(w*t0,EA_mean/T,EA_stdv/EA_mean: rotational rate distribution model" ))->register_me();
- (new CFunc3( "rotdiff", func_rotdiff, 0, 0,
- "(w,tau,qb: rotational diffusion spectrum)"))->register_me();
- */
+ register_fct_meta ( "rehavneg", 3, "(x,y,z): real part of the Havriliak-Negami function" );
+ register_fct_d_ddd( "rehavneg", func_re_havneg );
+ register_fct_meta ( "imhavneg", 3, "(x,y,z): imaginary part of the Havriliak-Negami function" );
+ register_fct_d_ddd( "imhavneg", func_im_havneg );
+ register_fct_meta ( "q4w", 3, "(x,y,z): ?" );
+ register_fct_d_ddd( "q4w", func_q4w );
+ register_fct_meta ( "cauchy2", 3, "(x,y,z): ?" );
+ register_fct_d_ddd( "cauchy2", func_cauchy2 );
+ register_fct_meta ( "kwwc", 3, "(w,tau,b): Fourier cosine transform (t->w) of exp((t/tau)^b)" );
+ register_fct_d_ddd( "kwwc", func_kwwc );
+ register_fct_meta ( "kwws", 3, "(w,tau,b): Fourier sine transform (t->w) of exp((t/tau)^b)" );
+ register_fct_d_ddd( "kwws", func_kwws );
+ register_fct_meta ( "kwwp", 3, "(w,tau,b): primitive of Fourier cosine transform (t->w) of exp((t/tau)^b)" );
+ register_fct_d_ddd( "kwwp", func_kwwp );
+ register_fct_meta ( "voigt", 3, "(x,sigma,gamma): convolution of Gaussian(x,sigma) and Lorentzian(x,gamma)" );
+ register_fct_d_ddd( "voigt", func_voigt );
+ register_fct_meta ( "zorn", 3, "(I,<I>,s): Zorn's multiple-scattering corrected elastic intensity" );
+ register_fct_d_ddd( "zorn", func_zorn );
+ register_fct_meta ( "zorn2", 3, "(q,<u^2>,s): Zorn's multiple-scattering corrected Gaussian elastic intensity for Si111" );
+ register_fct_d_ddd( "zorn2", func_zorn_gauss );
+ register_fct_meta ( "rrdm", 3, "(w*t0,EA_mean/T,EA_stdv/EA_mean: rotational rate distribution model" );
+ register_fct_d_ddd( "rrdm", func_rrdm );
+ register_fct_meta ( "rotdiff", 3, "(w,tau,qb: rotational diffusion spectrum)" );
+ register_fct_d_ddd( "rotdiff", func_rotdiff );
}
diff --git a/pub/lib/func.hpp b/pub/lib/func.hpp
index 40ca96f5717adfd1e046ce82aa9d188b53066e32..df59fac833602651712237f09f7bf412c891a75d 100644
--- a/pub/lib/func.hpp
+++ b/pub/lib/func.hpp
@@ -23,22 +23,12 @@ typedef double (*func_d_ii) (int, int);
typedef double (*func_d_id) (int, double);
typedef double (*func_d_di) (double, int);
typedef double (*func_d_dd) (double, double);
-typedef void (*func_e_dd) (double&,double&, double,double, double,double);
+typedef void (*func_e_dd) (double&,double&, double, double);
typedef void (*func_e_ee) (double&,double&, double,double, double,double);
+typedef double (*func_d_ddd) (double, double, double);
typedef void (*func_e_eee) (double&,double&, double,double, double,double, double,double);
-typedef double (*func_f1) (double);
-typedef double (*func_f2) (double, double);
-typedef double (*func_f3) (double, double, double);
-
-// Derivatives thereof.
-
-typedef void (*deri_f1) (double&,double&,double,double);
-typedef void (*deri_f2) (double&,double&,double,double,double,double);
-typedef void (*deri_f3) (double&,double&,
- double,double,double,double,double,double);
-
//! A wrapper holding a function with given input and output types.
class CTypedFunc {
diff --git a/pub/lib/node.cpp b/pub/lib/node.cpp
index 21e2b9ea4e8e59185bf2aa056200ea571157e888..d60e0148b625687f0a92bb224f0764fb67841bc3 100644
--- a/pub/lib/node.cpp
+++ b/pub/lib/node.cpp
@@ -62,18 +62,18 @@ const RObj CNodeFun::tree_val( const CContext& ctx ) const
try {
// evaluate arguments, determine if all results are scalar.
vector<RObj> pa(narg);
- string base_types = "";
+ string basetypes = "";
bool is_scalar = true;
for ( int iarg=0; iarg<narg; ++iarg ) {
pa[iarg] = arg[iarg]->tree_val( ctx );
- base_types += pa[iarg]->base_type();
+ basetypes += pa[iarg]->base_type();
if ( pa[iarg]->vectorial )
is_scalar = false;
}
- const CTypedFunc* tf = fu->find_tyfu( base_types, ctx.want_error );
+ const CTypedFunc* tf = fu->find_tyfu( basetypes, ctx.want_error );
if( !tf )
- throw "function " + fu->tag + " not implemented for argument types " + base_types;
+ throw "function " + fu->tag + " not implemented for argument types " + basetypes;
void* f = tf->f;
if( is_scalar ) {
@@ -88,7 +88,7 @@ const RObj CNodeFun::tree_val( const CContext& ctx ) const
else if ( tf->intypes=="dd" )
ret = (*(func_i_dd)(f))( pa[0]->to_r(), pa[1]->to_r() );
else
- throw "BUG: unexpected intypes";
+ throw "BUG: unexpected intypes '"+basetypes+"', cast to '"+tf->intypes+"'";
return PObjInt( new CObjInt( ret ) );
} else if ( tf->outtype=="d" ) {
@@ -101,14 +101,18 @@ const RObj CNodeFun::tree_val( const CContext& ctx ) const
ret = (*(func_d_ii)(f))( pa[0]->to_i(), pa[1]->to_i() );
else if ( tf->intypes=="dd" )
ret = (*(func_d_dd)(f))( pa[0]->to_r(), pa[1]->to_r() );
+ else if ( tf->intypes=="ddd" )
+ ret = (*(func_d_ddd)(f))( pa[0]->to_r(), pa[1]->to_r(), pa[2]->to_r() );
else
- throw "BUG: unexpected intypes";
+ throw "BUG: unexpected intypes '"+basetypes+"', cast to '"+tf->intypes+"'";
return PObjDble( new CObjDble( ret ) );
} else if ( tf->outtype=="e" ) {
double val, err;
if ( tf->intypes=="e" )
(*(func_e_e)(f))( val, err,
pa[0]->to_r(), pa[0]->to_dr() );
+ else if ( tf->intypes=="dd" )
+ (*(func_e_dd)(f))( val, err, pa[0]->to_r(), pa[1]->to_r() );
else if ( tf->intypes=="ee" )
(*(func_e_ee)(f))( val, err,
pa[0]->to_r(), pa[0]->to_dr(),
@@ -119,10 +123,10 @@ const RObj CNodeFun::tree_val( const CContext& ctx ) const
pa[1]->to_r(), pa[1]->to_dr(),
pa[2]->to_r(), pa[2]->to_dr() );
else
- throw "BUG: unexpected intypes";
+ throw "BUG: unexpected intypes '"+basetypes+"', cast to '"+tf->intypes+"'";
return PObjDble( new CObjDble( val, err ) );
} else
- throw "BUG: unexpected outtype";
+ throw "BUG: unexpected outtype '"+tf->outtype+"' after cast";
}
throw "incomplete";
@@ -137,15 +141,6 @@ const RObj CNodeFun::tree_val( const CContext& ctx ) const
else if ( pan[iarg] = PCAST<const CObjNumber>(pa[iarg]) )
if( is_scalar ) {
- PObjDble pret( new CObjDble() );
- if ( want_err )
- (*(fu->d3))( pret->val, pret->err,
- pan[0]->to_r(), pan[0]->to_dr(),
- pan[1]->to_r(), pan[1]->to_dr(),
- pan[2]->to_r(), pan[2]->to_dr() );
- else
- pret->val = (*(fu->f3))( pan[0]->to_r(), pan[1]->to_r(), pan[2]->to_r() );
- return pret;
} else {
int n=0;
for ( int iarg=0; iarg<narg; ++iarg ) {
diff --git a/pub/lib/obj.hpp b/pub/lib/obj.hpp
index 87cd427641b2d9b1b452a7846080ed9ad3ea5cff..7dc5d3d8871500772d090ba71e164050da969bf5 100644
--- a/pub/lib/obj.hpp
+++ b/pub/lib/obj.hpp
@@ -59,7 +59,7 @@ class CObjDble : public CObjNumber {
public:
double val; //!< Scalar value.
double err; //!< Error of scalar value.
- CObjDble( double _val, double _err=0 ) : CObjNumber(), val(_val), err(_err) {};
+ CObjDble( double _val, double _err=-INFINITY ) : CObjNumber(), val(_val), err(_err) {};
bool has_err() const { return err>=0; };
char base_type() const { return has_err() ? 'e' : 'd'; };
string result_info() const;