[jw1] Adapt to libformfactor!32 ()

Merging branch 'jw1'  into 'main'.

See merge request !1153

Sample/HardParticle/Dodecahedron.cpp

@@ -13,7 +13,7 @@
 //  ************************************************************************************************
 
 #include "Sample/HardParticle/Dodecahedron.h"
-#include <ff/Platonic.h>
+#include <ff/Make.h>
 
 Dodecahedron::Dodecahedron(const std::vector<double> P)
     : IFormFactorPolyhedron(P)
@@ -32,8 +32,8 @@ std::string Dodecahedron::validate() const
     if (m_edge <= 0)
         return jointError({"nonpositive edge=" + std::to_string(m_edge)});
 
-    setPolyhedron(ff::platonic::Dodecahedron::topology(), -1.113516364411607 * m_edge,
-                  ff::platonic::Dodecahedron::vertices(m_edge));
+    pimpl.reset(ff::make::Dodecahedron(m_edge));
+    shift(1.113516364411607 * m_edge);
     assert_platonic();
 
     m_validated = true;

Sample/HardParticle/IFormFactorPolyhedron.cpp

@@ -19,17 +19,8 @@
 #include "Sample/HardParticle/IFormFactorPolyhedron.h"
 #include "Base/Util/Assert.h"
 #include "Sample/Particle/PolyhedralUtil.h"
-#include <ff/Face.h>
 #include <ff/Polyhedron.h>
 
-// #ifdef ALGORITHM_DIAGNOSTIC // TODO restore
-// void IFormFactorPolyhedron::setLimits(double _q, int _n)
-// {
-//     q_limit_series = _q;
-//     n_limit_series = _n;
-// }
-// #endif
-
 IFormFactorPolyhedron::IFormFactorPolyhedron(const std::vector<double>& PValues)
     : IFormFactor(PValues)
 {
@@ -51,6 +42,14 @@ void IFormFactorPolyhedron::setPolyhedron(const ff::Topology& topology, double z
     pimpl = std::make_unique<ff::Polyhedron>(topology, vertices);
 }
 
+void IFormFactorPolyhedron::shift(double z_center) const
+{
+    m_z_bottom = -z_center;
+    m_vertices.clear();
+    for (const R3& vertex : pimpl->vertices())
+        m_vertices.push_back(vertex + R3{0, 0, z_center});
+}
+
 double IFormFactorPolyhedron::bottomZ(const IRotation* rotation) const
 {
     ASSERT(m_validated);

Sample/HardParticle/IFormFactorPolyhedron.h

@@ -17,22 +17,19 @@
 #define BORNAGAIN_SAMPLE_HARDPARTICLE_IFORMFACTORPOLYHEDRON_H
 
 #include "Sample/Particle/IFormFactor.h"
-#include <ff/Topology.h>
+#include <ff/Topology.h> // needed by all child classes
 #include <memory>
 
 namespace ff {
 
 class Polyhedron;
+
 }
 
 //! A polyhedron, for form factor computation.
 
 class IFormFactorPolyhedron : public IFormFactor {
 public:
-    // #ifdef ALGORITHM_DIAGNOSTIC
-    //     static void setLimits(double _q, int _n);
-    // #endif
-
     IFormFactorPolyhedron(const std::vector<double>& PValues);
     ~IFormFactorPolyhedron() override;
 
@@ -48,8 +45,9 @@ public:
 protected:
     void setPolyhedron(const ff::Topology& topology, double z_bottom,
                        const std::vector<R3>& vertices) const;
+    void shift(double z_center) const;
 
-private:
+    // private:
     mutable std::unique_ptr<ff::Polyhedron> pimpl;
     mutable std::vector<R3> m_vertices; //! for topZ, bottomZ computation only
     mutable double m_z_bottom;

Sample/HardParticle/IFormFactorPrism.cpp

@@ -51,13 +51,13 @@ double IFormFactorPrism::topZ(const IRotation* rotation) const
 double IFormFactorPrism::volume() const
 {
     ASSERT(m_validated);
-    return height() * pimpl->area();
+    return pimpl->volume();
 }
 
 double IFormFactorPrism::radialExtension() const
 {
     ASSERT(m_validated);
-    return std::sqrt(pimpl->area());
+    return pimpl->radius();
 }
 
 //! Returns the form factor F(q) of this polyhedron, respecting the offset height/2.

Sample/HardParticle/Icosahedron.cpp

@@ -13,7 +13,7 @@
 //  ************************************************************************************************
 
 #include "Sample/HardParticle/Icosahedron.h"
-#include <ff/Platonic.h>
+#include <ff/Make.h>
 
 Icosahedron::Icosahedron(const std::vector<double> P)
     : IFormFactorPolyhedron(P)
@@ -32,8 +32,8 @@ std::string Icosahedron::validate() const
     if (m_edge <= 0)
         return jointError({"nonpositive edge=" + std::to_string(m_edge)});
 
-    setPolyhedron(ff::platonic::Icosahedron::topology(), -0.7557613140761708 * m_edge,
-                  ff::platonic::Icosahedron::vertices(m_edge));
+    pimpl.reset(ff::make::Icosahedron(m_edge));
+    shift(0.7557613140761708 * m_edge);
     assert_platonic();
 
     m_validated = true;

Sample/HardParticle/PlatonicOctahedron.cpp

@@ -15,7 +15,7 @@
 #include "Sample/HardParticle/PlatonicOctahedron.h"
 #include "Base/Math/Constants.h"
 #include "Base/Math/Functions.h"
-#include <ff/Platonic.h>
+#include <ff/Make.h>
 
 PlatonicOctahedron::PlatonicOctahedron(const std::vector<double> P)
     : IFormFactorPolyhedron(P)
@@ -35,8 +35,8 @@ std::string PlatonicOctahedron::validate() const
     if (m_edge <= 0)
         return jointError({"nonpositive edge=" + std::to_string(m_edge)});
 
-    setPolyhedron(ff::platonic::Octahedron::topology(), -m_edge / sqrt(2),
-                  ff::platonic::Octahedron::vertices(m_edge));
+    pimpl.reset(ff::make::Octahedron(m_edge));
+    shift(m_edge / sqrt(2));
     assert_platonic();
 
     m_validated = true;

Sample/HardParticle/PlatonicTetrahedron.cpp

@@ -15,7 +15,7 @@
 #include "Sample/HardParticle/PlatonicTetrahedron.h"
 #include "Base/Math/Constants.h"
 #include "Base/Math/Functions.h"
-#include <ff/Platonic.h>
+#include <ff/Make.h>
 
 PlatonicTetrahedron::PlatonicTetrahedron(const std::vector<double> P)
     : IFormFactorPolyhedron(P)
@@ -34,8 +34,8 @@ std::string PlatonicTetrahedron::validate() const
     if (m_edge <= 0)
         return jointError({"nonpositive edge=" + std::to_string(m_edge)});
 
-    setPolyhedron(ff::platonic::Tetrahedron::topology(), -height() / 4,
-                  ff::platonic::Tetrahedron::vertices(m_edge));
+    pimpl.reset(ff::make::Tetrahedron(m_edge));
+    shift(sqrt(2. / 3) / 4 * m_edge);
     assert_platonic();
 
     m_validated = true;

Sample/HardParticle/Pyramid2.cpp

@@ -45,12 +45,11 @@ std::string Pyramid2::validate() const
     requestGt0(errs, m_length, "length");
     requestGt0(errs, m_width, "width");
     requestGt0(errs, m_height, "height");
-    const double cot_alpha = Math::cot(m_alpha);
-    if (m_alpha <= 0 || !std::isfinite(cot_alpha) || cot_alpha < 0)
-        errs.push_back("pyramid angle alpha " + std::to_string(m_alpha) + " out of bounds");
+    requestIn(errs, m_alpha, "alpha", 0, M_PI_2);
     if (!errs.empty())
         return jointError(errs);
 
+    const double cot_alpha = Math::cot(m_alpha);
     double r = cot_alpha * 2 * m_height / m_length;
     double s = cot_alpha * 2 * m_height / m_width;
     if (r > 1)