From 00b84c25183ac6f70474a0772df02b7ec345a85c Mon Sep 17 00:00:00 2001
From: Walter Van Herck <w.van.herck@fz-juelich.de>
Date: Fri, 16 Nov 2018 13:46:04 +0100
Subject: [PATCH] Switch to new interface for IPeakShape and remove old
interface
---
Core/Aggregate/IPeakShape.h | 7 +-
.../InterferenceFunction3DLattice.cpp | 2 +-
auto/Wrap/libBornAgainCore.py | 18 ++---
auto/Wrap/libBornAgainCore_wrap.cpp | 69 ++++++++++++++++---
4 files changed, 72 insertions(+), 24 deletions(-)
diff --git a/Core/Aggregate/IPeakShape.h b/Core/Aggregate/IPeakShape.h
index 9da2adc0d72..730824b7f05 100644
--- a/Core/Aggregate/IPeakShape.h
+++ b/Core/Aggregate/IPeakShape.h
@@ -29,9 +29,6 @@ public:
virtual IPeakShape* clone() const=0;
- //! Evaluates the peak shape at displacement q from the center at 0
- virtual double evaluate(const kvector_t q) const=0;
-
//! Evaluates the peak shape at q from a reciprocal lattice point at q_lattice_point
virtual double evaluate(const kvector_t q, const kvector_t q_lattice_point) const=0;
};
@@ -51,9 +48,9 @@ public:
void accept(INodeVisitor* visitor) const override { visitor->visit(this); }
- double evaluate(const kvector_t q) const override;
double evaluate(const kvector_t q, const kvector_t q_lattice_point) const override;
private:
+ double evaluate(const kvector_t q) const;
double m_max_intensity;
double m_domainsize;
};
@@ -72,9 +69,9 @@ public:
void accept(INodeVisitor* visitor) const override { visitor->visit(this); }
- double evaluate(const kvector_t q) const override;
double evaluate(const kvector_t q, const kvector_t q_lattice_point) const override;
private:
+ double evaluate(const kvector_t q) const;
double m_max_intensity;
double m_domainsize;
};
diff --git a/Core/Aggregate/InterferenceFunction3DLattice.cpp b/Core/Aggregate/InterferenceFunction3DLattice.cpp
index b6563dbc697..3bd60a0caff 100644
--- a/Core/Aggregate/InterferenceFunction3DLattice.cpp
+++ b/Core/Aggregate/InterferenceFunction3DLattice.cpp
@@ -63,7 +63,7 @@ double InterferenceFunction3DLattice::evaluate(const kvector_t q) const
auto rec_vectors = m_lattice.reciprocalLatticeVectorsWithinRadius(q, radius);
double result = 0.0;
for (const auto& q_rec : rec_vectors) {
- result += mP_peak_shape->evaluate(q - q_rec)*DebyeWallerFactor(q_rec, m_dw_length);
+ result += mP_peak_shape->evaluate(q, q_rec)*DebyeWallerFactor(q_rec, m_dw_length);
}
return result;
}
diff --git a/auto/Wrap/libBornAgainCore.py b/auto/Wrap/libBornAgainCore.py
index 45df7b98fa8..c3455e47179 100644
--- a/auto/Wrap/libBornAgainCore.py
+++ b/auto/Wrap/libBornAgainCore.py
@@ -19366,16 +19366,16 @@ class IPeakShape(ISample):
return _libBornAgainCore.IPeakShape_clone(self)
- def evaluate(self, q):
+ def evaluate(self, q, q_lattice_point):
"""
- evaluate(IPeakShape self, kvector_t q) -> double
+ evaluate(IPeakShape self, kvector_t q, kvector_t q_lattice_point) -> double
virtual double IPeakShape::evaluate(const kvector_t q) const =0
Evaluates the peak shape at displacement q from the center at 0.
"""
- return _libBornAgainCore.IPeakShape_evaluate(self, q)
+ return _libBornAgainCore.IPeakShape_evaluate(self, q, q_lattice_point)
IPeakShape_swigregister = _libBornAgainCore.IPeakShape_swigregister
IPeakShape_swigregister(IPeakShape)
@@ -19439,16 +19439,16 @@ class GaussPeakShape(IPeakShape):
return _libBornAgainCore.GaussPeakShape_accept(self, visitor)
- def evaluate(self, q):
+ def evaluate(self, q, q_lattice_point):
"""
- evaluate(GaussPeakShape self, kvector_t q) -> double
+ evaluate(GaussPeakShape self, kvector_t q, kvector_t q_lattice_point) -> double
double GaussPeakShape::evaluate(const kvector_t q) const override
Evaluates the peak shape at displacement q from the center at 0.
"""
- return _libBornAgainCore.GaussPeakShape_evaluate(self, q)
+ return _libBornAgainCore.GaussPeakShape_evaluate(self, q, q_lattice_point)
GaussPeakShape_swigregister = _libBornAgainCore.GaussPeakShape_swigregister
GaussPeakShape_swigregister(GaussPeakShape)
@@ -19500,16 +19500,16 @@ class LorentzPeakShape(IPeakShape):
return _libBornAgainCore.LorentzPeakShape_accept(self, visitor)
- def evaluate(self, q):
+ def evaluate(self, q, q_lattice_point):
"""
- evaluate(LorentzPeakShape self, kvector_t q) -> double
+ evaluate(LorentzPeakShape self, kvector_t q, kvector_t q_lattice_point) -> double
virtual double IPeakShape::evaluate(const kvector_t q) const =0
Evaluates the peak shape at displacement q from the center at 0.
"""
- return _libBornAgainCore.LorentzPeakShape_evaluate(self, q)
+ return _libBornAgainCore.LorentzPeakShape_evaluate(self, q, q_lattice_point)
LorentzPeakShape_swigregister = _libBornAgainCore.LorentzPeakShape_swigregister
LorentzPeakShape_swigregister(LorentzPeakShape)
diff --git a/auto/Wrap/libBornAgainCore_wrap.cpp b/auto/Wrap/libBornAgainCore_wrap.cpp
index e2da984f12e..1976e6ed83d 100644
--- a/auto/Wrap/libBornAgainCore_wrap.cpp
+++ b/auto/Wrap/libBornAgainCore_wrap.cpp
@@ -87518,15 +87518,19 @@ SWIGINTERN PyObject *_wrap_IPeakShape_evaluate(PyObject *SWIGUNUSEDPARM(self), P
PyObject *resultobj = 0;
IPeakShape *arg1 = (IPeakShape *) 0 ;
kvector_t arg2 ;
+ kvector_t arg3 ;
void *argp1 = 0 ;
int res1 = 0 ;
void *argp2 ;
int res2 = 0 ;
+ void *argp3 ;
+ int res3 = 0 ;
PyObject * obj0 = 0 ;
PyObject * obj1 = 0 ;
+ PyObject * obj2 = 0 ;
double result;
- if (!PyArg_ParseTuple(args,(char *)"OO:IPeakShape_evaluate",&obj0,&obj1)) SWIG_fail;
+ if (!PyArg_ParseTuple(args,(char *)"OOO:IPeakShape_evaluate",&obj0,&obj1,&obj2)) SWIG_fail;
res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_IPeakShape, 0 | 0 );
if (!SWIG_IsOK(res1)) {
SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "IPeakShape_evaluate" "', argument " "1"" of type '" "IPeakShape const *""'");
@@ -87545,7 +87549,20 @@ SWIGINTERN PyObject *_wrap_IPeakShape_evaluate(PyObject *SWIGUNUSEDPARM(self), P
if (SWIG_IsNewObj(res2)) delete temp;
}
}
- result = (double)((IPeakShape const *)arg1)->evaluate(arg2);
+ {
+ res3 = SWIG_ConvertPtr(obj2, &argp3, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
+ if (!SWIG_IsOK(res3)) {
+ SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "IPeakShape_evaluate" "', argument " "3"" of type '" "kvector_t const""'");
+ }
+ if (!argp3) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "IPeakShape_evaluate" "', argument " "3"" of type '" "kvector_t const""'");
+ } else {
+ kvector_t * temp = reinterpret_cast< kvector_t * >(argp3);
+ arg3 = *temp;
+ if (SWIG_IsNewObj(res3)) delete temp;
+ }
+ }
+ result = (double)((IPeakShape const *)arg1)->evaluate(arg2,arg3);
resultobj = SWIG_From_double(static_cast< double >(result));
return resultobj;
fail:
@@ -87668,15 +87685,19 @@ SWIGINTERN PyObject *_wrap_GaussPeakShape_evaluate(PyObject *SWIGUNUSEDPARM(self
PyObject *resultobj = 0;
GaussPeakShape *arg1 = (GaussPeakShape *) 0 ;
kvector_t arg2 ;
+ kvector_t arg3 ;
void *argp1 = 0 ;
int res1 = 0 ;
void *argp2 ;
int res2 = 0 ;
+ void *argp3 ;
+ int res3 = 0 ;
PyObject * obj0 = 0 ;
PyObject * obj1 = 0 ;
+ PyObject * obj2 = 0 ;
double result;
- if (!PyArg_ParseTuple(args,(char *)"OO:GaussPeakShape_evaluate",&obj0,&obj1)) SWIG_fail;
+ if (!PyArg_ParseTuple(args,(char *)"OOO:GaussPeakShape_evaluate",&obj0,&obj1,&obj2)) SWIG_fail;
res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_GaussPeakShape, 0 | 0 );
if (!SWIG_IsOK(res1)) {
SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "GaussPeakShape_evaluate" "', argument " "1"" of type '" "GaussPeakShape const *""'");
@@ -87695,7 +87716,20 @@ SWIGINTERN PyObject *_wrap_GaussPeakShape_evaluate(PyObject *SWIGUNUSEDPARM(self
if (SWIG_IsNewObj(res2)) delete temp;
}
}
- result = (double)((GaussPeakShape const *)arg1)->evaluate(arg2);
+ {
+ res3 = SWIG_ConvertPtr(obj2, &argp3, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
+ if (!SWIG_IsOK(res3)) {
+ SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "GaussPeakShape_evaluate" "', argument " "3"" of type '" "kvector_t const""'");
+ }
+ if (!argp3) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "GaussPeakShape_evaluate" "', argument " "3"" of type '" "kvector_t const""'");
+ } else {
+ kvector_t * temp = reinterpret_cast< kvector_t * >(argp3);
+ arg3 = *temp;
+ if (SWIG_IsNewObj(res3)) delete temp;
+ }
+ }
+ result = (double)((GaussPeakShape const *)arg1)->evaluate(arg2,arg3);
resultobj = SWIG_From_double(static_cast< double >(result));
return resultobj;
fail:
@@ -87818,15 +87852,19 @@ SWIGINTERN PyObject *_wrap_LorentzPeakShape_evaluate(PyObject *SWIGUNUSEDPARM(se
PyObject *resultobj = 0;
LorentzPeakShape *arg1 = (LorentzPeakShape *) 0 ;
kvector_t arg2 ;
+ kvector_t arg3 ;
void *argp1 = 0 ;
int res1 = 0 ;
void *argp2 ;
int res2 = 0 ;
+ void *argp3 ;
+ int res3 = 0 ;
PyObject * obj0 = 0 ;
PyObject * obj1 = 0 ;
+ PyObject * obj2 = 0 ;
double result;
- if (!PyArg_ParseTuple(args,(char *)"OO:LorentzPeakShape_evaluate",&obj0,&obj1)) SWIG_fail;
+ if (!PyArg_ParseTuple(args,(char *)"OOO:LorentzPeakShape_evaluate",&obj0,&obj1,&obj2)) SWIG_fail;
res1 = SWIG_ConvertPtr(obj0, &argp1,SWIGTYPE_p_LorentzPeakShape, 0 | 0 );
if (!SWIG_IsOK(res1)) {
SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "LorentzPeakShape_evaluate" "', argument " "1"" of type '" "LorentzPeakShape const *""'");
@@ -87845,7 +87883,20 @@ SWIGINTERN PyObject *_wrap_LorentzPeakShape_evaluate(PyObject *SWIGUNUSEDPARM(se
if (SWIG_IsNewObj(res2)) delete temp;
}
}
- result = (double)((LorentzPeakShape const *)arg1)->evaluate(arg2);
+ {
+ res3 = SWIG_ConvertPtr(obj2, &argp3, SWIGTYPE_p_BasicVector3DT_double_t, 0 | 0);
+ if (!SWIG_IsOK(res3)) {
+ SWIG_exception_fail(SWIG_ArgError(res3), "in method '" "LorentzPeakShape_evaluate" "', argument " "3"" of type '" "kvector_t const""'");
+ }
+ if (!argp3) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "LorentzPeakShape_evaluate" "', argument " "3"" of type '" "kvector_t const""'");
+ } else {
+ kvector_t * temp = reinterpret_cast< kvector_t * >(argp3);
+ arg3 = *temp;
+ if (SWIG_IsNewObj(res3)) delete temp;
+ }
+ }
+ result = (double)((LorentzPeakShape const *)arg1)->evaluate(arg2,arg3);
resultobj = SWIG_From_double(static_cast< double >(result));
return resultobj;
fail:
@@ -127068,7 +127119,7 @@ static PyMethodDef SwigMethods[] = {
"\n"
""},
{ (char *)"IPeakShape_evaluate", _wrap_IPeakShape_evaluate, METH_VARARGS, (char *)"\n"
- "IPeakShape_evaluate(IPeakShape self, kvector_t q) -> double\n"
+ "IPeakShape_evaluate(IPeakShape self, kvector_t q, kvector_t q_lattice_point) -> double\n"
"\n"
"virtual double IPeakShape::evaluate(const kvector_t q) const =0\n"
"\n"
@@ -127105,7 +127156,7 @@ static PyMethodDef SwigMethods[] = {
"\n"
""},
{ (char *)"GaussPeakShape_evaluate", _wrap_GaussPeakShape_evaluate, METH_VARARGS, (char *)"\n"
- "GaussPeakShape_evaluate(GaussPeakShape self, kvector_t q) -> double\n"
+ "GaussPeakShape_evaluate(GaussPeakShape self, kvector_t q, kvector_t q_lattice_point) -> double\n"
"\n"
"double GaussPeakShape::evaluate(const kvector_t q) const override\n"
"\n"
@@ -127132,7 +127183,7 @@ static PyMethodDef SwigMethods[] = {
"\n"
""},
{ (char *)"LorentzPeakShape_evaluate", _wrap_LorentzPeakShape_evaluate, METH_VARARGS, (char *)"\n"
- "LorentzPeakShape_evaluate(LorentzPeakShape self, kvector_t q) -> double\n"
+ "LorentzPeakShape_evaluate(LorentzPeakShape self, kvector_t q, kvector_t q_lattice_point) -> double\n"
"\n"
"virtual double IPeakShape::evaluate(const kvector_t q) const =0\n"
"\n"
--
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