diff --git a/Core/FormFactors/inc/FormFactorCrystal.h b/Core/FormFactors/inc/FormFactorCrystal.h
index ac3967a04a2dee69847f2ab75601620b1cd2e08a..eaf7d37005e57d8c0a417856ad49d11326abd70c 100644
--- a/Core/FormFactors/inc/FormFactorCrystal.h
+++ b/Core/FormFactors/inc/FormFactorCrystal.h
@@ -33,9 +33,7 @@ public:
virtual void setAmbientRefractiveIndex(complex_t refractive_index);
- //! propagate the bin sizes to the form factor to possibly enable large bin size approximations
virtual void setBinSizes(double delta_qy, double delta_qz) {
- IFormFactor::setBinSizes(delta_qy, delta_qz);
mp_basis_form_factor->setBinSizes(delta_qy, delta_qz);
mp_meso_form_factor->setBinSizes(delta_qy, delta_qz);
}
diff --git a/Core/FormFactors/inc/IFormFactor.h b/Core/FormFactors/inc/IFormFactor.h
index ca18cfcec63e7b39c5e9ac3bf80f8225fbf9b70d..1b40c1eb3cb65eb3f413fe20c9fb0cefcf87ff7c 100644
--- a/Core/FormFactors/inc/IFormFactor.h
+++ b/Core/FormFactors/inc/IFormFactor.h
@@ -29,7 +29,7 @@
class IFormFactor : public ISample
{
public:
- IFormFactor() : m_use_large_bin_approximation(false), m_bin_qy(0.0), m_bin_qz(0.0) {}
+ IFormFactor() {}
virtual ~IFormFactor() {}
//! create a clone of this formfactor
@@ -47,7 +47,7 @@ public:
virtual int getNumberOfStochasticParameters() const { return 0; }
//! propagate the bin sizes to the form factor to possibly enable large bin size approximations
- virtual void setBinSizes(double delta_qy, double delta_qz);
+ virtual void setBinSizes(double delta_qy, double delta_qz)=0;
//! get the total volume of the particle to which this formfactor belongs
virtual double getVolume() const;
@@ -71,24 +71,8 @@ public:
//! static method to calculate bin sizes in reciprocal space
static double CalculateBinSize(double lambda, double phi_range, size_t n_phi);
-
-protected:
- bool m_use_large_bin_approximation; //!< indicates if large bin size approximation should be used
- double m_bin_qy, m_bin_qz; //!< the sizes of the bins in q space
};
-inline void IFormFactor::setBinSizes(double delta_qy, double delta_qz)
-{
- m_bin_qy = delta_qy;
- m_bin_qz = delta_qz;
- if (m_bin_qy > M_PI/2.0/getRadius() || m_bin_qz > M_PI/2.0/getHeight()) {
- m_use_large_bin_approximation = true;
- }
- else {
- m_use_large_bin_approximation = false;
- }
-}
-
inline double IFormFactor::getVolume() const
{
cvector_t zero;
diff --git a/Core/FormFactors/inc/IFormFactorBorn.h b/Core/FormFactors/inc/IFormFactorBorn.h
index ccf77935abb3e5a5ed1974298b3c9ece258b23b1..05390ca00c25bd284c41701e09bf70179eaca726 100644
--- a/Core/FormFactors/inc/IFormFactorBorn.h
+++ b/Core/FormFactors/inc/IFormFactorBorn.h
@@ -27,12 +27,14 @@
class IFormFactorBorn : public IFormFactor
{
public:
- IFormFactorBorn() {}
+ IFormFactorBorn();
virtual ~IFormFactorBorn() {}
virtual IFormFactorBorn *clone() const=0;
virtual complex_t evaluate(const cvector_t &k_i, const cvector_t &k_f, double alpha_i, double alpha_f) const;
+ virtual void setBinSizes(double delta_qy, double delta_qz);
+
//! evaluate scattering amplitude for large bin sizes
virtual complex_t evaluateForLargeBins(const cvector_t &q) const;
protected:
@@ -42,6 +44,10 @@ protected:
//! override volume getter to avoid infinite loop caused by big bin approximation
virtual double getVolume() const;
+
+ bool m_use_large_bin_approximation_radial; //!< indicates if large bin size approximation should be used in the qx-qy direction
+ bool m_use_large_bin_approximation_z; //!< indicates if large bin size approximation should be used in the qz direction
+ double m_bin_qy, m_bin_qz; //!< the sizes of the bins in q space
private:
double bigRadialPart(double qR, void *params) const;
double bigZPart(double qH2) const;
@@ -51,7 +57,7 @@ inline complex_t IFormFactorBorn::evaluate(const cvector_t &k_i, const cvector_t
{
(void)alpha_i;
(void)alpha_f;
- if (m_use_large_bin_approximation) {
+ if (m_use_large_bin_approximation_radial || m_use_large_bin_approximation_z) {
return evaluateForLargeBins(k_i - k_f);
}
return evaluate_for_q(k_i - k_f);
diff --git a/Core/FormFactors/inc/IFormFactorDecorator.h b/Core/FormFactors/inc/IFormFactorDecorator.h
index 7208ae5e375331a4df206e3f5755f8e3edee082b..65f8920cbf5da02b16c9ef0cdff23aa1b9c0abdc 100644
--- a/Core/FormFactors/inc/IFormFactorDecorator.h
+++ b/Core/FormFactors/inc/IFormFactorDecorator.h
@@ -56,8 +56,7 @@ inline void IFormFactorDecorator::setAmbientRefractiveIndex(complex_t refractive
inline void IFormFactorDecorator::setBinSizes(double delta_qy, double delta_qz)
{
- IFormFactor::setBinSizes(delta_qy, delta_qz);
- mp_form_factor->setBinSizes(delta_qy, delta_qz);
+ if (mp_form_factor) mp_form_factor->setBinSizes(delta_qy, delta_qz);
}
inline double IFormFactorDecorator::getVolume() const
diff --git a/Core/FormFactors/src/IFormFactorBorn.cpp b/Core/FormFactors/src/IFormFactorBorn.cpp
index a93fb0abd878798a717a749864efc5821a29e897..430953ce1ca2cda52b057a006e20089bc594c0b5 100644
--- a/Core/FormFactors/src/IFormFactorBorn.cpp
+++ b/Core/FormFactors/src/IFormFactorBorn.cpp
@@ -1,5 +1,23 @@
#include "IFormFactorBorn.h"
+void IFormFactorBorn::setBinSizes(double delta_qy, double delta_qz)
+{
+ m_bin_qy = delta_qy;
+ m_bin_qz = delta_qz;
+ if (m_bin_qy > M_PI/2.0/getRadius()) {
+ m_use_large_bin_approximation_radial = true;
+ }
+ else {
+ m_use_large_bin_approximation_radial = false;
+ }
+ if (m_bin_qz > M_PI/2.0/getHeight()) {
+ m_use_large_bin_approximation_z = true;
+ }
+ else {
+ m_use_large_bin_approximation_z = false;
+ }
+}
+
double IFormFactorBorn::bigRadialPart(double qR, void *params) const
{
(void)params;
@@ -9,6 +27,14 @@ double IFormFactorBorn::bigRadialPart(double qR, void *params) const
return a/(1.0 + std::pow(std::abs(b*qR),3.0));
}
+IFormFactorBorn::IFormFactorBorn()
+: m_use_large_bin_approximation_radial(false)
+, m_use_large_bin_approximation_z(false)
+, m_bin_qy(0.0)
+, m_bin_qz(0.0)
+{
+}
+
double IFormFactorBorn::bigZPart(double qH2) const
{
if (qH2<Numeric::double_epsilon) return qH2;