From d139da653a7b544663e36a81d12850a83dd808ac Mon Sep 17 00:00:00 2001
From: Walter Van Herck <w.van.herck@fz-juelich.de>
Date: Thu, 26 Jul 2018 18:20:18 +0200
Subject: [PATCH] Remove delta parameter in 2d decay functions and simplify
InterferenceFunction2DLattice::transformToPrincipalAxes
---
Core/Aggregate/FTDecayFunctions.cpp | 14 ++++-----
Core/Aggregate/FTDecayFunctions.h | 4 ---
.../InterferenceFunction2DLattice.cpp | 8 ++---
.../Aggregate/InterferenceFunction2DLattice.h | 2 +-
auto/Wrap/libBornAgainCore.py | 12 --------
auto/Wrap/libBornAgainCore_wrap.cpp | 30 -------------------
6 files changed, 10 insertions(+), 60 deletions(-)
diff --git a/Core/Aggregate/FTDecayFunctions.cpp b/Core/Aggregate/FTDecayFunctions.cpp
index c6739578907..b3098199cac 100644
--- a/Core/Aggregate/FTDecayFunctions.cpp
+++ b/Core/Aggregate/FTDecayFunctions.cpp
@@ -144,19 +144,15 @@ double FTDecayFunction1DCosine::evaluate(double q) const
//! @param gamma: distribution orientation with respect to the corresponding lattice vector
//! in radians
IFTDecayFunction2D::IFTDecayFunction2D(double decay_length_x, double decay_length_y, double gamma)
- : m_decay_length_x(decay_length_x), m_decay_length_y(decay_length_y), m_gamma(gamma),
- m_delta(M_PI_2)
-{
-}
+ : m_decay_length_x(decay_length_x), m_decay_length_y(decay_length_y), m_gamma(gamma)
+{}
void IFTDecayFunction2D::transformToStarBasis(double qX, double qY, double alpha, double a,
double b, double& qa, double& qb) const
{
- double prefactor = 1.0 / M_TWOPI; // divide by sin(m_delta)
- // for unnormalized X*,Y* basis
- qa = a * prefactor * (std::sin(m_gamma + m_delta) * qX - std::sin(m_gamma) * qY);
- qb = b * prefactor
- * (-std::sin(alpha - m_gamma - m_delta) * qX + std::sin(alpha - m_gamma) * qY);
+ double prefactor = 1.0 / M_TWOPI;
+ qa = a * prefactor * (std::cos(m_gamma) * qX - std::sin(m_gamma) * qY);
+ qb = b * prefactor * (std::cos(alpha - m_gamma) * qX + std::sin(alpha - m_gamma) * qY);
}
void IFTDecayFunction2D::register_decay_lengths()
diff --git a/Core/Aggregate/FTDecayFunctions.h b/Core/Aggregate/FTDecayFunctions.h
index abf68ed53f8..226fb65e000 100644
--- a/Core/Aggregate/FTDecayFunctions.h
+++ b/Core/Aggregate/FTDecayFunctions.h
@@ -117,9 +117,6 @@ public:
//! get angle between first lattice vector and X-axis of distribution (both in direct space)
double gamma() const { return m_gamma; }
- //! get angle between X- and Y-axis of distribution (in direct space)
- double delta() const { return m_delta; }
-
//! get decay length in distribution's X-direction
double decayLengthX() const { return m_decay_length_x; }
@@ -140,7 +137,6 @@ protected:
double m_decay_length_x;
double m_decay_length_y;
double m_gamma;
- double m_delta;
};
diff --git a/Core/Aggregate/InterferenceFunction2DLattice.cpp b/Core/Aggregate/InterferenceFunction2DLattice.cpp
index b59af137945..eb967dc3ec2 100644
--- a/Core/Aggregate/InterferenceFunction2DLattice.cpp
+++ b/Core/Aggregate/InterferenceFunction2DLattice.cpp
@@ -172,16 +172,16 @@ double InterferenceFunction2DLattice::interferenceAtOneRecLatticePoint(double qx
" -> Error! No decay function defined.");
double qp1, qp2;
double gamma = m_decay->gamma();
- double delta = m_decay->delta();
- transformToPrincipalAxes(qx, qy, gamma, delta, qp1, qp2);
+ transformToPrincipalAxes(qx, qy, gamma, qp1, qp2);
return m_decay->evaluate(qp1, qp2);
}
+// Rotate between orthonormal systems (q_x,q_y) -> (q_X,q_Y)
void InterferenceFunction2DLattice::transformToPrincipalAxes(
- double qx, double qy, double gamma, double delta, double &q_pa_1, double &q_pa_2) const
+ double qx, double qy, double gamma, double &q_pa_1, double &q_pa_2) const
{
q_pa_1 = qx * std::cos(gamma) + qy * std::sin(gamma);
- q_pa_2 = qx * std::cos(gamma + delta) + qy * std::sin(gamma + delta);
+ q_pa_2 = -qx * std::sin(gamma) + qy * std::cos(gamma);
}
void InterferenceFunction2DLattice::calculateReciprocalVectorFraction(
diff --git a/Core/Aggregate/InterferenceFunction2DLattice.h b/Core/Aggregate/InterferenceFunction2DLattice.h
index 46126f735df..74183727585 100644
--- a/Core/Aggregate/InterferenceFunction2DLattice.h
+++ b/Core/Aggregate/InterferenceFunction2DLattice.h
@@ -66,7 +66,7 @@ private:
//! Returns reciprocal coordinates in the principal axis system
void transformToPrincipalAxes(double qx, double qy, double gamma,
- double delta, double& q_pa_1, double& q_pa_2) const;
+ double& q_pa_1, double& q_pa_2) const;
//! Returns qx,qy coordinates of q - qint, where qint is a reciprocal lattice vector
//! bounding the reciprocal unit cell to which q belongs
diff --git a/auto/Wrap/libBornAgainCore.py b/auto/Wrap/libBornAgainCore.py
index 0f9e7585e67..30c4b4286dd 100644
--- a/auto/Wrap/libBornAgainCore.py
+++ b/auto/Wrap/libBornAgainCore.py
@@ -10340,18 +10340,6 @@ class IFTDecayFunction2D(ICloneable, INode):
return _libBornAgainCore.IFTDecayFunction2D_gamma(self)
- def delta(self):
- """
- delta(IFTDecayFunction2D self) -> double
-
- double IFTDecayFunction2D::delta() const
-
- get angle between X- and Y-axis of distribution (in direct space)
-
- """
- return _libBornAgainCore.IFTDecayFunction2D_delta(self)
-
-
def decayLengthX(self):
"""
decayLengthX(IFTDecayFunction2D self) -> double
diff --git a/auto/Wrap/libBornAgainCore_wrap.cpp b/auto/Wrap/libBornAgainCore_wrap.cpp
index 9f73b66123c..59145feefb4 100644
--- a/auto/Wrap/libBornAgainCore_wrap.cpp
+++ b/auto/Wrap/libBornAgainCore_wrap.cpp
@@ -66393,28 +66393,6 @@ fail:
}
-SWIGINTERN PyObject *_wrap_IFTDecayFunction2D_delta(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- IFTDecayFunction2D *arg1 = (IFTDecayFunction2D *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject * obj0 = 0 ;
- double result;
-
- if (!PyArg_ParseTuple(args,(char *)"O:IFTDecayFunction2D_delta",&obj0)) SWIG_fail;
- res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_IFTDecayFunction2D, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IFTDecayFunction2D_delta" "', argument " "1"" of type '" "IFTDecayFunction2D const *""'");
- }
- arg1 = reinterpret_cast< IFTDecayFunction2D * >(argp1);
- result = (double)((IFTDecayFunction2D const *)arg1)->delta();
- resultobj = SWIG_From_double(static_cast< double >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
SWIGINTERN PyObject *_wrap_IFTDecayFunction2D_decayLengthX(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
IFTDecayFunction2D *arg1 = (IFTDecayFunction2D *) 0 ;
@@ -128409,14 +128387,6 @@ static PyMethodDef SwigMethods[] = {
"get angle between first lattice vector and X-axis of distribution (both in direct space) \n"
"\n"
""},
- { (char *)"IFTDecayFunction2D_delta", _wrap_IFTDecayFunction2D_delta, METH_VARARGS, (char *)"\n"
- "IFTDecayFunction2D_delta(IFTDecayFunction2D self) -> double\n"
- "\n"
- "double IFTDecayFunction2D::delta() const\n"
- "\n"
- "get angle between X- and Y-axis of distribution (in direct space) \n"
- "\n"
- ""},
{ (char *)"IFTDecayFunction2D_decayLengthX", _wrap_IFTDecayFunction2D_decayLengthX, METH_VARARGS, (char *)"\n"
"IFTDecayFunction2D_decayLengthX(IFTDecayFunction2D self) -> double\n"
"\n"
--
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