From 0c587868d47743f07f664afdeca084f93fc399b7 Mon Sep 17 00:00:00 2001
From: Walter Van Herck <w.van.herck@fz-juelich.de>
Date: Mon, 19 Feb 2018 16:16:08 +0100
Subject: [PATCH] Allow distribution of inclination angle in OffSpecSimulation
---
Core/Simulation/OffSpecSimulation.cpp | 30 ++++++++++++++++++++-----
Core/Simulation/OffSpecSimulation.h | 7 ++++--
Core/Simulation/SpecularSimulation.cpp | 4 ++--
auto/Wrap/swig_runtime.h | 31 ++++++++++++++------------
4 files changed, 49 insertions(+), 23 deletions(-)
diff --git a/Core/Simulation/OffSpecSimulation.cpp b/Core/Simulation/OffSpecSimulation.cpp
index c5a6e697a73..bd8bba5ecaf 100644
--- a/Core/Simulation/OffSpecSimulation.cpp
+++ b/Core/Simulation/OffSpecSimulation.cpp
@@ -14,10 +14,13 @@
#include "OffSpecSimulation.h"
#include "BornAgainNamespace.h"
+#include "Distributions.h"
#include "DWBAComputation.h"
#include "Histogram2D.h"
#include "IMultiLayerBuilder.h"
#include "MultiLayer.h"
+#include "ParameterPool.h"
+#include "RealParameter.h"
#include "SimulationElement.h"
OffSpecSimulation::OffSpecSimulation()
@@ -68,8 +71,8 @@ void OffSpecSimulation::setBeamParameters(double wavelength, const IAxis& alpha_
throw Exceptions::ClassInitializationException(
"OffSpecSimulation::prepareSimulation() "
"-> Error. Incoming alpha range size < 1.");
- double alpha_start = alpha_axis[0];
- m_instrument.setBeamParameters(wavelength, alpha_start, phi_i);
+ const double alpha_zero = 0.0;
+ m_instrument.setBeamParameters(wavelength, alpha_zero, phi_i);
updateIntensityMap();
}
@@ -91,13 +94,15 @@ void OffSpecSimulation::initSimulationElementVector()
{
m_sim_elements.clear();
Beam beam = m_instrument.getBeam();
- double wavelength = beam.getWavelength();
- double phi_i = beam.getPhi();
+ const double wavelength = beam.getWavelength();
+ const double phi_i = beam.getPhi();
+ const double alpha_shift = beam.getAlpha();
for (size_t i = 0; i < mP_alpha_i_axis->size(); ++i) {
// Incoming angle by convention defined as positive:
double alpha_i = mP_alpha_i_axis->getBin(i).getMidPoint();
- beam.setCentralK(wavelength, alpha_i, phi_i);
+ double total_alpha = alpha_i + alpha_shift;
+ beam.setCentralK(wavelength, total_alpha, phi_i);
auto sim_elements_i = generateSimulationElements(beam);
m_sim_elements.insert(m_sim_elements.end(), std::make_move_iterator(sim_elements_i.begin()),
std::make_move_iterator(sim_elements_i.end()));
@@ -106,6 +111,21 @@ void OffSpecSimulation::initSimulationElementVector()
m_cache.resize(m_sim_elements.size(), 0.0);
}
+void OffSpecSimulation::validateParametrization(const ParameterDistribution& par_distr) const
+{
+ const bool zero_mean = par_distr.getDistribution()->getMean() == 0.0;
+ if (zero_mean)
+ return;
+
+ std::unique_ptr<ParameterPool> parameter_pool(createParameterTree());
+ const std::vector<RealParameter*> names
+ = parameter_pool->getMatchedParameters(par_distr.getMainParameterName());
+ for (const auto par : names)
+ if (par->getName().find(BornAgain::Inclination) != std::string::npos && !zero_mean)
+ throw std::runtime_error("Error in OffSpecSimulation: parameter distribution of "
+ "beam inclination angle should have zero mean.");
+}
+
void OffSpecSimulation::transferResultsToIntensityMap()
{
checkInitialization();
diff --git a/Core/Simulation/OffSpecSimulation.h b/Core/Simulation/OffSpecSimulation.h
index 86a7c9b7ab0..5f48896bce7 100644
--- a/Core/Simulation/OffSpecSimulation.h
+++ b/Core/Simulation/OffSpecSimulation.h
@@ -58,12 +58,15 @@ private:
//! Initializes the vector of Simulation elements
void initSimulationElementVector() override;
+ //! Checks the distribution validity for simulation.
+ void validateParametrization(const ParameterDistribution& par_distr) const override;
+
//! Creates the appropriate data structure (e.g. 2D intensity map) from the calculated
//! SimulationElement objects
- void transferResultsToIntensityMap() final;
+ void transferResultsToIntensityMap() override;
//! Default implementation only adds the detector axes
- void updateIntensityMap() override final;
+ void updateIntensityMap() override;
//! Normalize, apply detector resolution and transfer detector image corresponding to
//! alpha_i = mp_alpha_i_axis->getBin(index)
diff --git a/Core/Simulation/SpecularSimulation.cpp b/Core/Simulation/SpecularSimulation.cpp
index 0a111d368eb..b67fd4a334e 100644
--- a/Core/Simulation/SpecularSimulation.cpp
+++ b/Core/Simulation/SpecularSimulation.cpp
@@ -229,8 +229,8 @@ void SpecularSimulation::validateParametrization(const ParameterDistribution& pa
= parameter_pool->getMatchedParameters(par_distr.getMainParameterName());
for (const auto par : names)
if (par->getName().find(BornAgain::Inclination) != std::string::npos && !zero_mean)
- throw std::runtime_error("Error in SpecularSimulation: parameter distribution modifies "
- "beam inclination while its mean value is not zero.");
+ throw std::runtime_error("Error in SpecularSimulation: parameter distribution of "
+ "beam inclination angle should have zero mean.");
}
void SpecularSimulation::initialize()
diff --git a/auto/Wrap/swig_runtime.h b/auto/Wrap/swig_runtime.h
index de3fda43582..96d50bdb9a2 100644
--- a/auto/Wrap/swig_runtime.h
+++ b/auto/Wrap/swig_runtime.h
@@ -1,6 +1,6 @@
/* ----------------------------------------------------------------------------
* This file was automatically generated by SWIG (http://www.swig.org).
- * Version 3.0.12
+ * Version 3.0.8
*
* This file is not intended to be easily readable and contains a number of
* coding conventions designed to improve portability and efficiency. Do not make
@@ -75,11 +75,9 @@
#endif
/* exporting methods */
-#if defined(__GNUC__)
-# if (__GNUC__ >= 4) || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4)
-# ifndef GCC_HASCLASSVISIBILITY
-# define GCC_HASCLASSVISIBILITY
-# endif
+#if (__GNUC__ >= 4) || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4)
+# ifndef GCC_HASCLASSVISIBILITY
+# define GCC_HASCLASSVISIBILITY
# endif
#endif
@@ -644,16 +642,16 @@ SWIG_UnpackData(const char *c, void *ptr, size_t sz) {
char d = *(c++);
unsigned char uu;
if ((d >= '0') && (d <= '9'))
- uu = (unsigned char)((d - '0') << 4);
+ uu = ((d - '0') << 4);
else if ((d >= 'a') && (d <= 'f'))
- uu = (unsigned char)((d - ('a'-10)) << 4);
+ uu = ((d - ('a'-10)) << 4);
else
return (char *) 0;
d = *(c++);
if ((d >= '0') && (d <= '9'))
- uu |= (unsigned char)(d - '0');
+ uu |= (d - '0');
else if ((d >= 'a') && (d <= 'f'))
- uu |= (unsigned char)(d - ('a'-10));
+ uu |= (d - ('a'-10));
else
return (char *) 0;
*u = uu;
@@ -818,6 +816,10 @@ PyString_FromFormat(const char *fmt, ...) {
}
#endif
+/* Add PyObject_Del for old Pythons */
+#if PY_VERSION_HEX < 0x01060000
+# define PyObject_Del(op) PyMem_DEL((op))
+#endif
#ifndef PyObject_DEL
# define PyObject_DEL PyObject_Del
#endif
@@ -932,7 +934,6 @@ typedef destructor freefunc;
#if PY_VERSION_HEX < 0x03020000
#define PyDescr_TYPE(x) (((PyDescrObject *)(x))->d_type)
#define PyDescr_NAME(x) (((PyDescrObject *)(x))->d_name)
-#define Py_hash_t long
#endif
/* -----------------------------------------------------------------------------
* error manipulation
@@ -1877,6 +1878,7 @@ SwigPyObject_TypeOnce(void) {
static int type_init = 0;
if (!type_init) {
const PyTypeObject tmp = {
+ /* PyObject header changed in Python 3 */
#if PY_VERSION_HEX >= 0x03000000
PyVarObject_HEAD_INIT(NULL, 0)
#else
@@ -1887,7 +1889,7 @@ SwigPyObject_TypeOnce(void) {
sizeof(SwigPyObject), /* tp_basicsize */
0, /* tp_itemsize */
(destructor)SwigPyObject_dealloc, /* tp_dealloc */
- 0, /* tp_print */
+ 0, /* tp_print */
#if PY_VERSION_HEX < 0x02020000
(getattrfunc)SwigPyObject_getattr, /* tp_getattr */
#else
@@ -1895,7 +1897,7 @@ SwigPyObject_TypeOnce(void) {
#endif
(setattrfunc)0, /* tp_setattr */
#if PY_VERSION_HEX >= 0x03000000
- 0, /* tp_reserved in 3.0.1, tp_compare in 3.0.0 but not used */
+ 0, /* tp_reserved in 3.0.1, tp_compare in 3.0.0 but not used */
#else
(cmpfunc)SwigPyObject_compare, /* tp_compare */
#endif
@@ -1905,7 +1907,7 @@ SwigPyObject_TypeOnce(void) {
0, /* tp_as_mapping */
(hashfunc)0, /* tp_hash */
(ternaryfunc)0, /* tp_call */
- 0, /* tp_str */
+ 0, /* tp_str */
PyObject_GenericGetAttr, /* tp_getattro */
0, /* tp_setattro */
0, /* tp_as_buffer */
@@ -2068,6 +2070,7 @@ SwigPyPacked_TypeOnce(void) {
static int type_init = 0;
if (!type_init) {
const PyTypeObject tmp = {
+ /* PyObject header changed in Python 3 */
#if PY_VERSION_HEX>=0x03000000
PyVarObject_HEAD_INIT(NULL, 0)
#else
--
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