diff --git a/Sample/CMakeLists.txt b/Sample/CMakeLists.txt
index 525d2b2b4ce325f645da3502ddf557bda0c4296b..d7cc1b00604095226fb77ead4f573fe116d1c4f5 100644
--- a/Sample/CMakeLists.txt
+++ b/Sample/CMakeLists.txt
@@ -21,8 +21,10 @@ set(${lib}_LIBRARY ${lib} PARENT_SCOPE)
target_link_libraries(${lib}
PUBLIC
${BornAgainParam_LIBRARY}
+ ${formfactor_LIBRARY}
)
target_include_directories(${lib}
PUBLIC
+ ${formfactor_INCLUDE_DIR}
${CMAKE_SOURCE_DIR}
)
diff --git a/Sample/HardParticle/FormFactorAnisoPyramid.cpp b/Sample/HardParticle/FormFactorAnisoPyramid.cpp
index 7bd3f6076645a533cfa2f587bd5ab734c3a1691b..0457d088fd79681e051bbc7f306e0f047d4c9e07 100644
--- a/Sample/HardParticle/FormFactorAnisoPyramid.cpp
+++ b/Sample/HardParticle/FormFactorAnisoPyramid.cpp
@@ -16,7 +16,7 @@
#include "Base/Math/Constants.h"
#include "Base/Math/Functions.h"
-const PolyhedralTopology FormFactorAnisoPyramid::topology = {{{{3, 2, 1, 0}, true},
+const ff::PolyhedralTopology FormFactorAnisoPyramid::topology = {{{{3, 2, 1, 0}, true},
{{0, 1, 5, 4}, false},
{{1, 2, 6, 5}, false},
{{2, 3, 7, 6}, false},
diff --git a/Sample/HardParticle/FormFactorAnisoPyramid.h b/Sample/HardParticle/FormFactorAnisoPyramid.h
index 97cce35eafd81b33bc36eca46391722b3c354449..554989cd8d70ad90697e65f69589a3a57f087b74 100644
--- a/Sample/HardParticle/FormFactorAnisoPyramid.h
+++ b/Sample/HardParticle/FormFactorAnisoPyramid.h
@@ -46,7 +46,7 @@ protected:
void onChange() override;
private:
- static const PolyhedralTopology topology;
+ static const ff::PolyhedralTopology topology;
const double& m_length;
const double& m_width;
diff --git a/Sample/HardParticle/FormFactorCantellatedCube.cpp b/Sample/HardParticle/FormFactorCantellatedCube.cpp
index 1bb00a8ddb81191da74b9385f0bf7e24b3286ed4..2de3e3bcd75a64db3c04ad626df3ff2e780cb1fd 100644
--- a/Sample/HardParticle/FormFactorCantellatedCube.cpp
+++ b/Sample/HardParticle/FormFactorCantellatedCube.cpp
@@ -14,7 +14,7 @@
#include "Sample/HardParticle/FormFactorCantellatedCube.h"
-const PolyhedralTopology FormFactorCantellatedCube::topology = {
+const ff::PolyhedralTopology FormFactorCantellatedCube::topology = {
{
/* 0 */ {{0, 1, 2, 3}, true},
/* 1 */ {{0, 8, 5, 1}, true},
diff --git a/Sample/HardParticle/FormFactorCantellatedCube.h b/Sample/HardParticle/FormFactorCantellatedCube.h
index f36ba0ab430f01352a293fd0e7a72fd58d880be6..2c414125209ffd1e6d77fdf73468d8b4db3bafd5 100644
--- a/Sample/HardParticle/FormFactorCantellatedCube.h
+++ b/Sample/HardParticle/FormFactorCantellatedCube.h
@@ -41,7 +41,7 @@ protected:
void onChange() override;
private:
- static const PolyhedralTopology topology;
+ static const ff::PolyhedralTopology topology;
const double& m_length;
const double& m_removed_length;
};
diff --git a/Sample/HardParticle/FormFactorCone6.cpp b/Sample/HardParticle/FormFactorCone6.cpp
index 88897f2eb39c768f507826c7faedac0fd144935d..ad382e2daee8de7c7e64cbd64ee4093ce23ae2f1 100644
--- a/Sample/HardParticle/FormFactorCone6.cpp
+++ b/Sample/HardParticle/FormFactorCone6.cpp
@@ -16,7 +16,7 @@
#include "Base/Math/Constants.h"
#include "Base/Math/Functions.h"
-const PolyhedralTopology FormFactorCone6::topology = {{{{5, 4, 3, 2, 1, 0}, true},
+const ff::PolyhedralTopology FormFactorCone6::topology = {{{{5, 4, 3, 2, 1, 0}, true},
{{0, 1, 7, 6}, false},
{{1, 2, 8, 7}, false},
{{2, 3, 9, 8}, false},
diff --git a/Sample/HardParticle/FormFactorCone6.h b/Sample/HardParticle/FormFactorCone6.h
index d07db56fe35a1fcb31752328454a2ff816eb2e77..e48c041198cc232e57dc810202315cff180d7514 100644
--- a/Sample/HardParticle/FormFactorCone6.h
+++ b/Sample/HardParticle/FormFactorCone6.h
@@ -45,7 +45,7 @@ protected:
void onChange() override;
private:
- static const PolyhedralTopology topology;
+ static const ff::PolyhedralTopology topology;
const double& m_base_edge;
const double& m_height;
const double& m_alpha;
diff --git a/Sample/HardParticle/FormFactorCuboctahedron.cpp b/Sample/HardParticle/FormFactorCuboctahedron.cpp
index 690422731bc37a93ae71439ac1aae3ded2de45b4..930aa488a09340f62e4b80070bcbacbdf588df68 100644
--- a/Sample/HardParticle/FormFactorCuboctahedron.cpp
+++ b/Sample/HardParticle/FormFactorCuboctahedron.cpp
@@ -17,7 +17,7 @@
#include "Base/Math/Functions.h"
#include "Sample/HardParticle/FormFactorPyramid.h"
-const PolyhedralTopology FormFactorCuboctahedron::topology = {{{{3, 2, 1, 0}, true},
+const ff::PolyhedralTopology FormFactorCuboctahedron::topology = {{{{3, 2, 1, 0}, true},
{{0, 1, 5, 4}, false},
{{1, 2, 6, 5}, false},
{{2, 3, 7, 6}, false},
diff --git a/Sample/HardParticle/FormFactorCuboctahedron.h b/Sample/HardParticle/FormFactorCuboctahedron.h
index 3dc3e7e0be92410e2d4c90d24ceffbe2f563854c..c48308f92340d0f8aaa674de87e719183a2b428e 100644
--- a/Sample/HardParticle/FormFactorCuboctahedron.h
+++ b/Sample/HardParticle/FormFactorCuboctahedron.h
@@ -46,7 +46,7 @@ protected:
void onChange() override;
private:
- static const PolyhedralTopology topology;
+ static const ff::PolyhedralTopology topology;
const double& m_length;
const double& m_height;
diff --git a/Sample/HardParticle/FormFactorDodecahedron.cpp b/Sample/HardParticle/FormFactorDodecahedron.cpp
index 82a4e91d2368244a24b30ac0e2964681e7d2d43d..27140ae0791e670fe5d4c414e7ba6da2c7a04263 100644
--- a/Sample/HardParticle/FormFactorDodecahedron.cpp
+++ b/Sample/HardParticle/FormFactorDodecahedron.cpp
@@ -14,7 +14,7 @@
#include "Sample/HardParticle/FormFactorDodecahedron.h"
-const PolyhedralTopology FormFactorDodecahedron::topology = {{// bottom:
+const ff::PolyhedralTopology FormFactorDodecahedron::topology = {{// bottom:
{{0, 4, 3, 2, 1}, false},
// lower ring:
{{0, 5, 12, 9, 4}, false},
diff --git a/Sample/HardParticle/FormFactorDodecahedron.h b/Sample/HardParticle/FormFactorDodecahedron.h
index 8dc29c39157bf93b0808cb1595bf0c1a59122348..4b6e975dd375d87d7b1a383f36efcc3e3dbd253b 100644
--- a/Sample/HardParticle/FormFactorDodecahedron.h
+++ b/Sample/HardParticle/FormFactorDodecahedron.h
@@ -37,7 +37,7 @@ protected:
void onChange() override;
private:
- static const PolyhedralTopology topology;
+ static const ff::PolyhedralTopology topology;
const double& m_edge;
};
diff --git a/Sample/HardParticle/FormFactorIcosahedron.cpp b/Sample/HardParticle/FormFactorIcosahedron.cpp
index 1f0e426f8a3c44c3c7161b158eddd98d403b705f..5f840a9e80036ec2126470f8e759528ae3473bf5 100644
--- a/Sample/HardParticle/FormFactorIcosahedron.cpp
+++ b/Sample/HardParticle/FormFactorIcosahedron.cpp
@@ -14,7 +14,7 @@
#include "Sample/HardParticle/FormFactorIcosahedron.h"
-const PolyhedralTopology FormFactorIcosahedron::topology = {{// bottom:
+const ff::PolyhedralTopology FormFactorIcosahedron::topology = {{// bottom:
{{0, 2, 1}, false},
// 1st row:
{{0, 5, 2}, false},
diff --git a/Sample/HardParticle/FormFactorIcosahedron.h b/Sample/HardParticle/FormFactorIcosahedron.h
index 78757be0dc7b9713b815c0c65371cedc01eac104..c8663f4f2643c898b973b36859a4be65e953bbad 100644
--- a/Sample/HardParticle/FormFactorIcosahedron.h
+++ b/Sample/HardParticle/FormFactorIcosahedron.h
@@ -37,7 +37,7 @@ protected:
void onChange() override;
private:
- static const PolyhedralTopology topology;
+ static const ff::PolyhedralTopology topology;
const double& m_edge;
};
diff --git a/Sample/HardParticle/FormFactorPyramid.cpp b/Sample/HardParticle/FormFactorPyramid.cpp
index e29053643b3f75c2b621ba8afa5f6cf9e80511d7..32f07ad07136803f5aa11e1e947005be0194b12c 100644
--- a/Sample/HardParticle/FormFactorPyramid.cpp
+++ b/Sample/HardParticle/FormFactorPyramid.cpp
@@ -16,7 +16,7 @@
#include "Base/Math/Constants.h"
#include "Base/Math/Functions.h"
-const PolyhedralTopology FormFactorPyramid::topology = {{
+const ff::PolyhedralTopology FormFactorPyramid::topology = {{
{{3, 2, 1, 0}, true}, // TODO -> true
{{0, 1, 5, 4}, false},
{{1, 2, 6, 5}, false},
diff --git a/Sample/HardParticle/FormFactorPyramid.h b/Sample/HardParticle/FormFactorPyramid.h
index 0528093335d1e8fdaac4b989c14131d5ef256219..06c01e828db877fc8ffa5acb3e7d1b0a917d31ff 100644
--- a/Sample/HardParticle/FormFactorPyramid.h
+++ b/Sample/HardParticle/FormFactorPyramid.h
@@ -45,7 +45,7 @@ protected:
void onChange() override;
private:
- static const PolyhedralTopology topology;
+ static const ff::PolyhedralTopology topology;
const double& m_base_edge;
const double& m_height;
diff --git a/Sample/HardParticle/FormFactorTetrahedron.cpp b/Sample/HardParticle/FormFactorTetrahedron.cpp
index f56c380ab00947cd5efa8db95dc283c4364c452c..3728fde9cb7b9e6290b9cde35475f2a16e6696d9 100644
--- a/Sample/HardParticle/FormFactorTetrahedron.cpp
+++ b/Sample/HardParticle/FormFactorTetrahedron.cpp
@@ -16,7 +16,7 @@
#include "Base/Math/Constants.h"
#include "Base/Math/Functions.h"
-const PolyhedralTopology FormFactorTetrahedron::topology = {{{{2, 1, 0}, false},
+const ff::PolyhedralTopology FormFactorTetrahedron::topology = {{{{2, 1, 0}, false},
{{0, 1, 4, 3}, false},
{{1, 2, 5, 4}, false},
{{2, 0, 3, 5}, false},
diff --git a/Sample/HardParticle/FormFactorTetrahedron.h b/Sample/HardParticle/FormFactorTetrahedron.h
index 0535a8b3545f06c02623e2e982bee3359b6923d6..546cedc137991e3f7382634da3fd470c6e6867a9 100644
--- a/Sample/HardParticle/FormFactorTetrahedron.h
+++ b/Sample/HardParticle/FormFactorTetrahedron.h
@@ -45,7 +45,7 @@ protected:
void onChange() override;
private:
- static const PolyhedralTopology topology;
+ static const ff::PolyhedralTopology topology;
const double& m_base_edge;
const double& m_height;
const double& m_alpha;
diff --git a/Sample/HardParticle/FormFactorTruncatedCube.cpp b/Sample/HardParticle/FormFactorTruncatedCube.cpp
index c50d198214b66d7d1bff7306f30b2dfc1ccd9cc3..6d16fcb9e82457b9436bc9271357e18fccddec56 100644
--- a/Sample/HardParticle/FormFactorTruncatedCube.cpp
+++ b/Sample/HardParticle/FormFactorTruncatedCube.cpp
@@ -14,7 +14,7 @@
#include "Sample/HardParticle/FormFactorTruncatedCube.h"
-const PolyhedralTopology FormFactorTruncatedCube::topology = {
+const ff::PolyhedralTopology FormFactorTruncatedCube::topology = {
{{{0, 1, 7, 6, 9, 10, 4, 3}, true},
{{0, 2, 1}, false},
{{3, 4, 5}, false},
diff --git a/Sample/HardParticle/FormFactorTruncatedCube.h b/Sample/HardParticle/FormFactorTruncatedCube.h
index 63ea81f73849eeafbd468f778b87d6b4b033e7ff..874e18d4d026ffbe2838e28afffc34de609b9a93 100644
--- a/Sample/HardParticle/FormFactorTruncatedCube.h
+++ b/Sample/HardParticle/FormFactorTruncatedCube.h
@@ -41,7 +41,7 @@ protected:
void onChange() override;
private:
- static const PolyhedralTopology topology;
+ static const ff::PolyhedralTopology topology;
const double& m_length;
const double& m_removed_length;
};
diff --git a/Sample/HardParticle/IFormFactorPolyhedron.cpp b/Sample/HardParticle/IFormFactorPolyhedron.cpp
index 4570920c9e0fc122e97065d74cabfa6f44a9ede2..10dd1d93ee92d5a48cbcfbc5ef73fbad13182766 100644
--- a/Sample/HardParticle/IFormFactorPolyhedron.cpp
+++ b/Sample/HardParticle/IFormFactorPolyhedron.cpp
@@ -17,7 +17,7 @@
//! "Form factor (Fourier shape transform) of polygon and polyhedron."
#include "Sample/HardParticle/IFormFactorPolyhedron.h"
-#include "Sample/LibFF/Polyhedron.h"
+#include <ff/Polyhedron.h>
// #ifdef ALGORITHM_DIAGNOSTIC // TODO restore
// void IFormFactorPolyhedron::setLimits(double _q, int _n)
@@ -37,10 +37,10 @@ IFormFactorPolyhedron::~IFormFactorPolyhedron() = default;
//! Called by child classes to set faces and other internal variables.
-void IFormFactorPolyhedron::setPolyhedron(const PolyhedralTopology& topology, double z_bottom,
+void IFormFactorPolyhedron::setPolyhedron(const ff::PolyhedralTopology& topology, double z_bottom,
const std::vector<R3>& vertices)
{
- pimpl = std::make_unique<Polyhedron>(topology, z_bottom, vertices);
+ pimpl = std::make_unique<ff::Polyhedron>(topology, z_bottom, vertices);
}
double IFormFactorPolyhedron::bottomZ(const IRotation& rotation) const
diff --git a/Sample/HardParticle/IFormFactorPolyhedron.h b/Sample/HardParticle/IFormFactorPolyhedron.h
index d9d13814274122d3fbba194aafd92927f2d08777..41465b9a79f2abbb0516624a9e6ba561dd0f02fc 100644
--- a/Sample/HardParticle/IFormFactorPolyhedron.h
+++ b/Sample/HardParticle/IFormFactorPolyhedron.h
@@ -16,11 +16,13 @@
#ifndef BORNAGAIN_SAMPLE_HARDPARTICLE_IFORMFACTORPOLYHEDRON_H
#define BORNAGAIN_SAMPLE_HARDPARTICLE_IFORMFACTORPOLYHEDRON_H
-#include "Sample/LibFF/PolyhedralTopology.h"
+#include <ff/PolyhedralTopology.h>
#include "Sample/Scattering/IBornFF.h"
#include <memory>
+namespace ff {
class Polyhedron;
+}
//! A polyhedron, for form factor computation.
@@ -44,11 +46,11 @@ public:
void assert_platonic() const;
protected:
- void setPolyhedron(const PolyhedralTopology& topology, double z_bottom,
+ void setPolyhedron(const ff::PolyhedralTopology& topology, double z_bottom,
const std::vector<R3>& vertices);
private:
- std::unique_ptr<Polyhedron> pimpl;
+ std::unique_ptr<ff::Polyhedron> pimpl;
};
#endif // BORNAGAIN_SAMPLE_HARDPARTICLE_IFORMFACTORPOLYHEDRON_H
diff --git a/Sample/HardParticle/Prism.h b/Sample/HardParticle/Prism.h
index 4d1ac331dd281f3a56f7b58d576f9232e74850bb..e464053386c56aa9d458a51c815aeabf2500193c 100644
--- a/Sample/HardParticle/Prism.h
+++ b/Sample/HardParticle/Prism.h
@@ -21,7 +21,7 @@
#define BORNAGAIN_SAMPLE_HARDPARTICLE_PRISM_H
#include "Sample/LibFF/PolyhedralComponents.h"
-#include "Sample/LibFF/PolyhedralTopology.h"
+#include <ff/PolyhedralTopology.h>
#include <memory>
class Prism {
diff --git a/Sample/LibFF/PolyhedralComponents.cpp b/Sample/LibFF/PolyhedralComponents.cpp
deleted file mode 100644
index f23c7addb610f4fd53b1eaf0ae025661672ba2d1..0000000000000000000000000000000000000000
--- a/Sample/LibFF/PolyhedralComponents.cpp
+++ /dev/null
@@ -1,377 +0,0 @@
-// ************************************************************************************************
-//
-// BornAgain: simulate and fit reflection and scattering
-//
-//! @file Sample/LibFF/PolyhedralComponents.cpp
-//! @brief Implements classes PolyhedralEdge, PolyhedralFace
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************************************
-
-#include "Sample/LibFF/PolyhedralComponents.h"
-#include "Base/Math/Functions.h"
-#include "Base/Math/Precomputed.h"
-#include <iomanip>
-#include <stdexcept> // need overlooked by g++ 5.4
-
-namespace {
-const double eps = 2e-16;
-constexpr auto ReciprocalFactorialArray = Math::generateReciprocalFactorialArray<171>();
-} // namespace
-
-#ifdef ALGORITHM_DIAGNOSTIC
-void PolyhedralDiagnosis::reset()
-{
- order = 0;
- algo = 0;
- msg.clear();
-};
-std::string PolyhedralDiagnosis::message() const
-{
- std::string ret = "algo=" + std::to_string(algo) + ", order=" + std::to_string(order);
- if (!msg.empty())
- ret += ", msg:\n" + msg;
- return ret;
-}
-bool PolyhedralDiagnosis::operator==(const PolyhedralDiagnosis& other) const
-{
- return order == other.order && algo == other.algo;
-}
-bool PolyhedralDiagnosis::operator!=(const PolyhedralDiagnosis& other) const
-{
- return !(*this == other);
-}
-#endif
-
-// ************************************************************************************************
-// PolyhedralEdge implementation
-// ************************************************************************************************
-
-PolyhedralEdge::PolyhedralEdge(R3 Vlow, R3 Vhig) : m_E((Vhig - Vlow) / 2), m_R((Vhig + Vlow) / 2)
-{
- if (m_E.mag2() == 0)
- throw std::invalid_argument("At least one edge has zero length");
-};
-
-//! Returns sum_l=0^M/2 u^2l v^(M-2l) / (2l+1)!(M-2l)! - vperp^M/M!
-
-complex_t PolyhedralEdge::contrib(int M, C3 qpa, complex_t qrperp) const
-{
- complex_t u = qE(qpa);
- complex_t v2 = m_R.dot(qpa);
- complex_t v1 = qrperp;
- complex_t v = v2 + v1;
- // std::cout << std::scientific << std::showpos << std::setprecision(16) << "contrib: u=" << u
- // << " v1=" << v1 << " v2=" << v2 << "\n";
- if (v == 0.) { // only 2l=M contributes
- if (M & 1) // M is odd
- return 0.;
- return ReciprocalFactorialArray[M] * (pow(u, M) / (M + 1.) - pow(v1, M));
- }
- complex_t ret = 0;
- // the l=0 term, minus (qperp.R)^M, which cancels under the sum over E*contrib()
- if (v1 == 0.) {
- ret = ReciprocalFactorialArray[M] * pow(v2, M);
- } else if (v2 == 0.) {
- ; // leave ret=0
- } else {
- // binomial expansion
- for (int mm = 1; mm <= M; ++mm) {
- complex_t term = ReciprocalFactorialArray[mm] * ReciprocalFactorialArray[M - mm]
- * pow(v2, mm) * pow(v1, M - mm);
- ret += term;
- // std::cout << "contrib mm=" << mm << " t=" << term << " s=" << ret << "\n";
- }
- }
- if (u == 0.)
- return ret;
- for (int l = 1; l <= M / 2; ++l) {
- complex_t term = ReciprocalFactorialArray[M - 2 * l] * ReciprocalFactorialArray[2 * l + 1]
- * pow(u, 2 * l) * pow(v, M - 2 * l);
- ret += term;
- // std::cout << "contrib l=" << l << " t=" << term << " s=" << ret << "\n";
- }
- return ret;
-}
-
-// ************************************************************************************************
-// PolyhedralFace implementation
-// ************************************************************************************************
-
-double PolyhedralFace::qpa_limit_series = 1e-2;
-int PolyhedralFace::n_limit_series = 20;
-
-//! Static method, returns diameter of circle that contains all vertices.
-
-double PolyhedralFace::diameter(const std::vector<R3>& V)
-{
- double diameterFace = 0;
- for (size_t j = 0; j < V.size(); ++j)
- for (size_t jj = j + 1; jj < V.size(); ++jj)
- diameterFace = std::max(diameterFace, (V[j] - V[jj]).mag());
- return diameterFace;
-}
-
-//! Sets internal variables for given vertex chain.
-
-//! @param V oriented vertex list
-//! @param _sym_S2 true if face has a perpedicular two-fold symmetry axis
-
-PolyhedralFace::PolyhedralFace(const std::vector<R3>& V, bool _sym_S2) : sym_S2(_sym_S2)
-{
- size_t NV = V.size();
- if (!NV)
- throw std::logic_error("Face with no edges");
- if (NV < 3)
- throw std::logic_error("Face with less than three edges");
-
- // compute radius in 2d and 3d
- m_radius_2d = diameter(V) / 2;
- m_radius_3d = 0;
- for (const R3& v : V)
- m_radius_3d = std::max(m_radius_3d, v.mag());
-
- // Initialize list of 'edges'.
- // Do not create an edge if two vertices are too close to each other.
- // TODO This is implemented in a somewhat sloppy way: we just skip an edge if it would
- // be too short. This leaves tiny open edges. In a clean implementation, we
- // rather should merge adjacent vertices before generating edges.
- for (size_t j = 0; j < NV; ++j) {
- size_t jj = (j + 1) % NV;
- if ((V[j] - V[jj]).mag() < 1e-14 * m_radius_2d)
- continue; // distance too short -> skip this edge
- edges.emplace_back(V[j], V[jj]);
- }
- size_t NE = edges.size();
- if (NE < 3)
- throw std::invalid_argument("Face has less than three non-vanishing edges");
-
- // compute n_k, rperp
- m_normal = R3();
- for (size_t j = 0; j < NE; ++j) {
- size_t jj = (j + 1) % NE;
- R3 ee = edges[j].E().cross(edges[jj].E());
- if (ee.mag2() == 0) {
- throw std::logic_error("Two adjacent edges are parallel");
- }
- m_normal += ee.unit();
- }
- m_normal /= NE;
- m_rperp = 0;
- for (size_t j = 0; j < NV; ++j)
- m_rperp += V[j].dot(m_normal);
- m_rperp /= NV;
- // assert that the vertices lay in a plane
- for (size_t j = 1; j < NV; ++j)
- if (std::abs(V[j].dot(m_normal) - m_rperp) > 1e-14 * m_radius_3d)
- throw std::logic_error("Face is not planar");
- // compute m_area
- m_area = 0;
- for (size_t j = 0; j < NV; ++j) {
- size_t jj = (j + 1) % NV;
- m_area += m_normal.dot(V[j].cross(V[jj])) / 2;
- }
- // only now deal with inversion symmetry
- if (sym_S2) {
- if (NE & 1)
- throw std::logic_error("Odd #edges violates symmetry S2");
- NE /= 2;
- for (size_t j = 0; j < NE; ++j) {
- if (((edges[j].R() - m_rperp * m_normal) + (edges[j + NE].R() - m_rperp * m_normal))
- .mag()
- > 1e-12 * m_radius_2d)
- throw std::logic_error("Edge centers violate symmetry S2");
- if ((edges[j].E() + edges[j + NE].E()).mag() > 1e-12 * m_radius_2d)
- throw std::logic_error("Edge vectors violate symmetry S2");
- }
- // keep only half of the egdes
- edges.erase(edges.begin() + NE, edges.end());
- }
-}
-
-//! Sets qperp and qpa according to argument q and to this polygon's normal.
-
-void PolyhedralFace::decompose_q(C3 q, complex_t& qperp, C3& qpa) const
-{
- qperp = m_normal.dot(q);
- qpa = q - qperp * m_normal;
- // improve numeric accuracy:
- qpa -= m_normal.dot(qpa) * m_normal;
- if (qpa.mag() < eps * std::abs(qperp))
- qpa = C3(0., 0., 0.);
-}
-
-//! Returns core contribution to f_n
-
-complex_t PolyhedralFace::ff_n_core(int m, C3 qpa, complex_t qperp) const
-{
- const C3 prevec = 2. * m_normal.cross(qpa); // complex conjugation not here but in .dot
- complex_t ret = 0;
- const complex_t qrperp = qperp * m_rperp;
- for (size_t i = 0; i < edges.size(); ++i) {
- const PolyhedralEdge& e = edges[i];
- const complex_t vfac = prevec.dot(e.E());
- const complex_t tmp = e.contrib(m + 1, qpa, qrperp);
- ret += vfac * tmp;
- // std::cout << std::scientific << std::showpos << std::setprecision(16)
- // << "DBX ff_n_core " << m << " " << vfac << " " << tmp
- // << " term=" << vfac * tmp << " sum=" << ret << "\n";
- }
- return ret;
-}
-
-//! Returns contribution qn*f_n [of order q^(n+1)] from this face to the polyhedral form factor.
-
-complex_t PolyhedralFace::ff_n(int n, C3 q) const
-{
- complex_t qn = q.dot(m_normal); // conj(q)*normal (dot is antilinear in 'this' argument)
- if (std::abs(qn) < eps * q.mag())
- return 0.;
- complex_t qperp;
- C3 qpa;
- decompose_q(q, qperp, qpa);
- double qpa_mag2 = qpa.mag2();
- if (qpa_mag2 == 0.)
- return qn * pow(qperp * m_rperp, n) * m_area * ReciprocalFactorialArray[n];
- if (sym_S2)
- return qn * (ff_n_core(n, qpa, qperp) + ff_n_core(n, -qpa, qperp)) / qpa_mag2;
- complex_t tmp = ff_n_core(n, qpa, qperp);
- // std::cout << "DBX ff_n " << n << " " << qn << " " << tmp << " " << qpa_mag2 << "\n";
- return qn * tmp / qpa_mag2;
-}
-
-//! Returns sum of n>=1 terms of qpa expansion of 2d form factor
-
-complex_t PolyhedralFace::expansion(complex_t fac_even, complex_t fac_odd, C3 qpa,
- double abslevel) const
-{
-#ifdef ALGORITHM_DIAGNOSTIC
- polyhedralDiagnosis.algo += 1;
-#endif
- complex_t sum = 0;
- complex_t n_fac = I;
- int count_return_condition = 0;
- for (int n = 1; n < n_limit_series; ++n) {
-#ifdef ALGORITHM_DIAGNOSTIC
- polyhedralDiagnosis.order = std::max(polyhedralDiagnosis.order, n);
-#endif
- complex_t term = n_fac * (n & 1 ? fac_odd : fac_even) * ff_n_core(n, qpa, 0) / qpa.mag2();
- // std::cout << std::setprecision(16) << " sum=" << sum << " +term=" << term << "\n";
- sum += term;
- if (std::abs(term) <= eps * std::abs(sum) || std::abs(sum) < eps * abslevel)
- ++count_return_condition;
- else
- count_return_condition = 0;
- if (count_return_condition > 2)
- return sum; // regular exit
- n_fac = mul_I(n_fac);
- }
- throw std::runtime_error("Series f(q_pa) not converged");
-}
-
-//! Returns core contribution to analytic 2d form factor.
-
-complex_t PolyhedralFace::edge_sum_ff(C3 q, C3 qpa, bool sym_Ci) const
-{
- C3 prevec = m_normal.cross(qpa); // complex conjugation will take place in .dot
- complex_t sum = 0;
- complex_t vfacsum = 0;
- for (size_t i = 0; i < edges.size(); ++i) {
- const PolyhedralEdge& e = edges[i];
- complex_t qE = e.qE(qpa);
- complex_t qR = e.qR(qpa);
- complex_t Rfac = sym_S2 ? sin(qR) : (sym_Ci ? cos(e.qR(q)) : exp_I(qR));
- complex_t vfac;
- if (sym_S2 || i < edges.size() - 1) {
- vfac = prevec.dot(e.E());
- vfacsum += vfac;
- } else {
- vfac = -vfacsum; // to improve numeric accuracy: qcE_J = - sum_{j=0}^{J-1} qcE_j
- }
- complex_t term = vfac * Math::sinc(qE) * Rfac;
- sum += term;
- // std::cout << std::scientific << std::showpos << std::setprecision(16)
- // << " sum=" << sum << " term=" << term << " vf=" << vfac << " qE=" << qE
- // << " qR=" << qR << " sinc=" << Math::sinc(qE) << " Rfac=" << Rfac << "\n";
- }
- return sum;
-}
-
-//! Returns the contribution ff(q) of this face to the polyhedral form factor.
-
-complex_t PolyhedralFace::ff(C3 q, bool sym_Ci) const
-{
- complex_t qperp;
- C3 qpa;
- decompose_q(q, qperp, qpa);
- double qpa_red = m_radius_2d * qpa.mag();
- complex_t qr_perp = qperp * m_rperp;
- complex_t ff0 = (sym_Ci ? 2. * I * sin(qr_perp) : exp_I(qr_perp)) * m_area;
- if (qpa_red == 0)
- return ff0;
- if (qpa_red < qpa_limit_series && !sym_S2) {
- // summation of power series
- complex_t fac_even;
- complex_t fac_odd;
- if (sym_Ci) {
- fac_even = 2. * mul_I(sin(qr_perp));
- fac_odd = 2. * cos(qr_perp);
- } else {
- fac_even = exp_I(qr_perp);
- fac_odd = fac_even;
- }
- return ff0 + expansion(fac_even, fac_odd, qpa, std::abs(ff0));
- }
- // direct evaluation of analytic formula
- complex_t prefac;
- if (sym_S2)
- prefac = sym_Ci ? -8. * sin(qr_perp) : 4. * mul_I(exp_I(qr_perp));
- else
- prefac = sym_Ci ? 4. : 2. * exp_I(qr_perp);
- // std::cout << " qrperp=" << qr_perp << " => prefac=" << prefac << "\n";
- return prefac * edge_sum_ff(q, qpa, sym_Ci) / mul_I(qpa.mag2());
-}
-
-//! Two-dimensional form factor, for use in prism, from power series.
-
-complex_t PolyhedralFace::ff_2D_expanded(C3 qpa) const
-{
- return m_area + expansion(1., 1., qpa, std::abs(m_area));
-}
-
-//! Two-dimensional form factor, for use in prism, from sum over edge form factors.
-
-complex_t PolyhedralFace::ff_2D_direct(C3 qpa) const
-{
- return (sym_S2 ? 4. : 2. / I) * edge_sum_ff(qpa, qpa, false) / qpa.mag2();
-}
-
-//! Returns the two-dimensional form factor of this face, for use in a prism.
-
-complex_t PolyhedralFace::ff_2D(C3 qpa) const
-{
- if (std::abs(qpa.dot(m_normal)) > eps * qpa.mag())
- throw std::logic_error("ff_2D called with perpendicular q component");
- double qpa_red = m_radius_2d * qpa.mag();
- if (qpa_red == 0)
- return m_area;
- if (qpa_red < qpa_limit_series && !sym_S2)
- return ff_2D_expanded(qpa);
- return ff_2D_direct(qpa);
-}
-
-//! Throws if deviation from inversion symmetry is detected. Does not check vertices.
-
-void PolyhedralFace::assert_Ci(const PolyhedralFace& other) const
-{
- if (std::abs(m_rperp - other.m_rperp) > 1e-15 * (m_rperp + other.m_rperp))
- throw std::logic_error("Faces with different distance from origin violate symmetry Ci");
- if (std::abs(m_area - other.m_area) > 1e-15 * (m_area + other.m_area))
- throw std::logic_error("Faces with different areas violate symmetry Ci");
- if ((m_normal + other.m_normal).mag() > 1e-14)
- throw std::logic_error("Faces do not have opposite orientation, violating symmetry Ci");
-}
diff --git a/Sample/LibFF/PolyhedralComponents.h b/Sample/LibFF/PolyhedralComponents.h
deleted file mode 100644
index d645b2103fcfed58962f1813934863960f4c700b..0000000000000000000000000000000000000000
--- a/Sample/LibFF/PolyhedralComponents.h
+++ /dev/null
@@ -1,98 +0,0 @@
-// ************************************************************************************************
-//
-// BornAgain: simulate and fit reflection and scattering
-//
-//! @file Sample/LibFF/PolyhedralComponents.h
-//! @brief Defines classes PolyhedralEdge, PolyhedralFace
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************************************
-
-#ifdef SWIG
-#error no need to expose this header to Swig
-#endif
-
-#ifndef USER_API
-#ifndef BORNAGAIN_SAMPLE_LIBFF_POLYHEDRALCOMPONENTS_H
-#define BORNAGAIN_SAMPLE_LIBFF_POLYHEDRALCOMPONENTS_H
-
-#include <heinz/Complex.h>
-#include <heinz/Vectors3D.h>
-#include <vector>
-
-#ifdef ALGORITHM_DIAGNOSTIC
-#include <string>
-struct PolyhedralDiagnosis {
- int algo;
- int order;
- std::string msg;
- void reset();
- std::string message() const;
- bool operator==(const PolyhedralDiagnosis&) const;
- bool operator!=(const PolyhedralDiagnosis&) const;
-};
-inline PolyhedralDiagnosis polyhedralDiagnosis;
-#endif
-
-//! One edge of a polygon, for form factor computation.
-
-class PolyhedralEdge {
-public:
- PolyhedralEdge(R3 Vlow, R3 Vhig);
-
- R3 E() const { return m_E; }
- R3 R() const { return m_R; }
- complex_t qE(C3 q) const { return m_E.dot(q); }
- complex_t qR(C3 q) const { return m_R.dot(q); }
-
- complex_t contrib(int m, C3 qpa, complex_t qrperp) const;
-
-private:
- R3 m_E; //!< vector pointing from mid of edge to upper vertex
- R3 m_R; //!< position vector of edge midpoint
-};
-
-//! A polygon, for form factor computation.
-
-class PolyhedralFace {
-public:
- static double diameter(const std::vector<R3>& V);
-
- PolyhedralFace(const std::vector<R3>& _V = std::vector<R3>(), bool _sym_S2 = false);
-
- double area() const { return m_area; }
- double pyramidalVolume() const { return m_rperp * m_area / 3; }
- double radius3d() const { return m_radius_3d; }
- //! Returns conj(q)*normal [Vec3::dot is antilinear in 'this' argument]
- complex_t normalProjectionConj(C3 q) const { return q.dot(m_normal); }
- complex_t ff_n(int n, C3 q) const;
- complex_t ff(C3 q, bool sym_Ci) const;
- complex_t ff_2D(C3 qpa) const;
- complex_t ff_2D_direct(C3 qpa) const; // for TestTriangle
- complex_t ff_2D_expanded(C3 qpa) const; // for TestTriangle
- void assert_Ci(const PolyhedralFace& other) const;
-
-private:
- static double qpa_limit_series; //!< determines when use power series
- static int n_limit_series;
-
- bool sym_S2; //!< if true, then edges obtainable by inversion are not provided
- std::vector<PolyhedralEdge> edges;
- double m_area;
- R3 m_normal; //!< normal vector of this polygon's plane
- double m_rperp; //!< distance of this polygon's plane from the origin, along 'm_normal'
- double m_radius_2d; //!< radius of enclosing cylinder
- double m_radius_3d; //!< radius of enclosing sphere
-
- void decompose_q(C3 q, complex_t& qperp, C3& qpa) const;
- complex_t ff_n_core(int m, C3 qpa, complex_t qperp) const;
- complex_t edge_sum_ff(C3 q, C3 qpa, bool sym_Ci) const;
- complex_t expansion(complex_t fac_even, complex_t fac_odd, C3 qpa, double abslevel) const;
-};
-
-#endif // BORNAGAIN_SAMPLE_LIBFF_POLYHEDRALCOMPONENTS_H
-#endif // USER_API
diff --git a/Sample/LibFF/PolyhedralTopology.h b/Sample/LibFF/PolyhedralTopology.h
deleted file mode 100644
index 933cae137e6773d7642c9d1035453084c186719c..0000000000000000000000000000000000000000
--- a/Sample/LibFF/PolyhedralTopology.h
+++ /dev/null
@@ -1,40 +0,0 @@
-// ************************************************************************************************
-//
-// BornAgain: simulate and fit reflection and scattering
-//
-//! @file Sample/LibFF/PolyhedralTopology.h
-//! @brief Defines classes PolygonalTopology, PolyhedralTopology
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************************************
-
-#ifdef SWIG
-#error no need to expose this header to Swig
-#endif
-
-#ifndef USER_API
-#ifndef BORNAGAIN_SAMPLE_LIBFF_POLYHEDRALTOPOLOGY_H
-#define BORNAGAIN_SAMPLE_LIBFF_POLYHEDRALTOPOLOGY_H
-
-#include <vector>
-
-//! For internal use in PolyhedralFace.
-class PolygonalTopology {
-public:
- std::vector<int> vertexIndices;
- bool symmetry_S2;
-};
-
-//! For internal use in IFormFactorPolyhedron.
-class PolyhedralTopology {
-public:
- std::vector<PolygonalTopology> faces;
- bool symmetry_Ci;
-};
-
-#endif // BORNAGAIN_SAMPLE_LIBFF_POLYHEDRALTOPOLOGY_H
-#endif // USER_API
diff --git a/Sample/LibFF/Polyhedron.cpp b/Sample/LibFF/Polyhedron.cpp
deleted file mode 100644
index 15ebbd824e8935f425c7cb3e791bfb9d818a3cac..0000000000000000000000000000000000000000
--- a/Sample/LibFF/Polyhedron.cpp
+++ /dev/null
@@ -1,209 +0,0 @@
-// ************************************************************************************************
-//
-// BornAgain: simulate and fit reflection and scattering
-//
-//! @file Sample/LibFF/Polyhedron.cpp
-//! @brief Implements class Polyhedron.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************************************
-
-//! The mathematics implemented here is described in full detail in a paper
-//! by Joachim Wuttke, entitled
-//! "Numerically stable form factor of any polygon and polyhedron"
-
-#include "Sample/LibFF/Polyhedron.h"
-#include "Base/Math/Functions.h"
-#include "Sample/LibFF/PolyhedralTopology.h"
-#include <boost/format.hpp>
-#include <iomanip>
-#include <iostream>
-#include <stdexcept> // need overlooked by g++ 5.4
-
-namespace {
-const double eps = 2e-16;
-const double q_limit_series = 1e-2;
-const int n_limit_series = 20;
-} // namespace
-
-Polyhedron::Polyhedron(const PolyhedralTopology& topology, double z_bottom,
- const std::vector<R3>& vertices)
-{
-
- m_vertices.clear();
- for (const R3& vertex : vertices)
- m_vertices.push_back(vertex - R3{0, 0, z_bottom});
-
- try {
- m_z_bottom = z_bottom;
- m_sym_Ci = topology.symmetry_Ci;
-
- double diameter = 0;
- for (size_t j = 0; j < vertices.size(); ++j)
- for (size_t jj = j + 1; jj < vertices.size(); ++jj)
- diameter = std::max(diameter, (vertices[j] - vertices[jj]).mag());
-
- m_faces.clear();
- for (const PolygonalTopology& tf : topology.faces) {
- std::vector<R3> corners; // of one face
- for (int i : tf.vertexIndices)
- corners.push_back(vertices[i]);
- if (PolyhedralFace::diameter(corners) <= 1e-14 * diameter)
- continue; // skip ridiculously small face
- m_faces.emplace_back(corners, tf.symmetry_S2);
- }
- if (m_faces.size() < 4)
- throw std::logic_error("Less than four non-vanishing faces");
-
- m_radius = 0;
- m_volume = 0;
- for (const PolyhedralFace& Gk : m_faces) {
- m_radius = std::max(m_radius, Gk.radius3d());
- m_volume += Gk.pyramidalVolume();
- }
- if (m_sym_Ci) {
- if (m_faces.size() & 1)
- throw std::logic_error("Odd #faces violates symmetry Ci");
- size_t N = m_faces.size() / 2;
- // for this tests, m_faces must be in a specific order
- for (size_t k = 0; k < N; ++k)
- m_faces[k].assert_Ci(m_faces[2 * N - 1 - k]);
- // keep only half of the faces
- m_faces.erase(m_faces.begin() + N, m_faces.end());
- }
- } catch (std::invalid_argument& e) {
- throw std::invalid_argument(std::string("Invalid parameterization of Polyhedron: ")
- + e.what());
- } catch (std::logic_error& e) {
- throw std::logic_error(std::string("Bug in Polyhedron: ") + e.what()
- + " [please report to the maintainers]");
- } catch (std::exception& e) {
- throw std::runtime_error(std::string("Unexpected exception in Polyhedron: ") + e.what()
- + " [please report to the maintainers]");
- }
-}
-
-Polyhedron::~Polyhedron() = default;
-
-void Polyhedron::assert_platonic() const
-{
- // just one test; one could do much more ...
- double pyramidal_volume = 0;
- for (const auto& Gk : m_faces)
- pyramidal_volume += Gk.pyramidalVolume();
- pyramidal_volume /= m_faces.size();
- for (const auto& Gk : m_faces)
- if (std::abs(Gk.pyramidalVolume() - pyramidal_volume) > 160 * eps * pyramidal_volume) {
- std::cerr << std::setprecision(16)
- << "Bug: pyr_volume(this face)=" << Gk.pyramidalVolume()
- << " vs pyr_volume(avge)=" << pyramidal_volume << "\n";
- throw std::runtime_error("Deviant pyramidal volume in Platonic Polyhedron");
- }
-}
-
-double Polyhedron::volume() const
-{
- return m_volume;
-}
-double Polyhedron::radius() const
-{
- return m_radius;
-}
-
-const std::vector<R3>& Polyhedron::vertices() const
-{
- return m_vertices;
-}
-
-//! Returns the form factor F(q) of this polyhedron, respecting the offset z_bottom.
-
-complex_t Polyhedron::evaluate_for_q(const C3& q) const
-{
- try {
- return exp_I(-m_z_bottom * q.z()) * evaluate_centered(q);
- } catch (std::logic_error& e) {
- throw std::logic_error(std::string("Bug in Polyhedron: ") + e.what()
- + " [please report to the maintainers]");
- } catch (std::runtime_error& e) {
- throw std::runtime_error(std::string("Numeric computation failed in Polyhedron: ")
- + e.what() + " [please report to the maintainers]");
- } catch (std::exception& e) {
- throw std::runtime_error(std::string("Unexpected exception in Polyhedron: ") + e.what()
- + " [please report to the maintainers]");
- }
-}
-
-//! Returns the form factor F(q) of this polyhedron, with origin at z=0.
-
-complex_t Polyhedron::evaluate_centered(const C3& q) const
-{
- double q_red = m_radius * q.mag();
-#ifdef ALGORITHM_DIAGNOSTIC
- polyhedralDiagnosis.reset();
-#endif
- if (q_red == 0)
- return m_volume;
- if (q_red < q_limit_series) {
- // summation of power series
-#ifdef ALGORITHM_DIAGNOSTIC
- polyhedralDiagnosis.algo = 100;
-#endif
- complex_t sum = 0;
- complex_t n_fac = (m_sym_Ci ? -2 : -1) / q.mag2();
- int count_return_condition = 0;
- for (int n = 2; n < n_limit_series; ++n) {
- if (m_sym_Ci && n & 1)
- continue;
-#ifdef ALGORITHM_DIAGNOSTIC
- polyhedralDiagnosis.order = std::max(polyhedralDiagnosis.order, n);
-#endif
- complex_t term = 0;
- for (const PolyhedralFace& Gk : m_faces) {
- complex_t tmp = Gk.ff_n(n + 1, q);
- term += tmp;
- }
- term *= n_fac;
-#ifdef ALGORITHM_DIAGNOSTIC_LEVEL2
- polyhedralDiagnosis.msg +=
- boost::str(boost::format(" + term(n=%2i) = %23.17e+i*%23.17e\n") % n % term.real()
- % term.imag());
-#endif
- sum += term;
- if (std::abs(term) <= eps * std::abs(sum) || std::abs(sum) < eps * m_volume)
- ++count_return_condition;
- else
- count_return_condition = 0;
- if (count_return_condition > 2)
- return m_volume + sum; // regular exit
- n_fac = m_sym_Ci ? -n_fac : mul_I(n_fac);
- }
- throw std::runtime_error("Series F(q) not converged");
- }
-
- // direct evaluation of analytic formula (coefficients may involve series)
-#ifdef ALGORITHM_DIAGNOSTIC
- polyhedralDiagnosis.algo = 200;
-#endif
- complex_t sum = 0;
- for (const PolyhedralFace& Gk : m_faces) {
- complex_t qn = Gk.normalProjectionConj(q); // conj(q)*normal
- if (std::abs(qn) < eps * q.mag())
- continue;
- complex_t term = qn * Gk.ff(q, m_sym_Ci);
-#ifdef ALGORITHM_DIAGNOSTIC //_LEVEL2
- polyhedralDiagnosis.msg += boost::str(boost::format(" + face_ff = %23.17e+i*%23.17e\n")
- % term.real() % term.imag());
-#endif
- sum += term;
- }
-#ifdef ALGORITHM_DIAGNOSTIC //_LEVEL2
- polyhedralDiagnosis.msg +=
- boost::str(boost::format(" -> raw sum = %23.17e+i*%23.17e; divisor = %23.17e\n")
- % sum.real() % sum.imag() % q.mag2());
-#endif
- return sum / I / q.mag2();
-}
diff --git a/Sample/LibFF/Polyhedron.h b/Sample/LibFF/Polyhedron.h
deleted file mode 100644
index b603a930c7a9d66cc46d9ddd96c93a7a3d97921a..0000000000000000000000000000000000000000
--- a/Sample/LibFF/Polyhedron.h
+++ /dev/null
@@ -1,56 +0,0 @@
-// ************************************************************************************************
-//
-// BornAgain: simulate and fit reflection and scattering
-//
-//! @file Sample/LibFF/Polyhedron.h
-//! @brief Defines class Polyhedron.
-//!
-//! @homepage http://www.bornagainproject.org
-//! @license GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************************************
-
-#ifdef SWIG
-#error no need to expose this header to Swig
-#endif
-
-#ifndef USER_API
-#ifndef BORNAGAIN_SAMPLE_LIBFF_POLYHEDRON_H
-#define BORNAGAIN_SAMPLE_LIBFF_POLYHEDRON_H
-
-#include "Sample/LibFF/PolyhedralComponents.h"
-#include <memory>
-
-class PolyhedralTopology;
-
-//! A polyhedron, implementation class for use in IFormFactorPolyhedron
-
-class Polyhedron {
-public:
- Polyhedron(const PolyhedralTopology& topology, double z_bottom,
- const std::vector<R3>& vertices);
- Polyhedron(const Polyhedron&) = delete;
- ~Polyhedron();
-
- void assert_platonic() const;
- double volume() const;
- double radius() const;
-
- const std::vector<R3>& vertices() const; //! needed for topZ, bottomZ computation
- complex_t evaluate_for_q(const C3& q) const;
- complex_t evaluate_centered(const C3& q) const;
-
-private:
- double m_z_bottom;
- bool m_sym_Ci; //!< if true, then faces obtainable by inversion are not provided
-
- std::vector<PolyhedralFace> m_faces;
- double m_radius;
- double m_volume;
- std::vector<R3> m_vertices; //! for topZ, bottomZ computation only
-};
-
-#endif // BORNAGAIN_SAMPLE_LIBFF_POLYHEDRON_H
-#endif // USER_API
diff --git a/cmake/BornAgain/Dependences.cmake b/cmake/BornAgain/Dependences.cmake
index 875a1e2e03cc59865e7418cedd58eec881fb4b92..f48b75045cc0c094e31f26895299fff098b62d62 100644
--- a/cmake/BornAgain/Dependences.cmake
+++ b/cmake/BornAgain/Dependences.cmake
@@ -8,6 +8,10 @@ find_package(LibHeinz REQUIRED)
message(STATUS "LibHeinz: found=${LibHeinz_FOUND}, include_dirs=${LibHeinz_INCLUDE_DIR}, "
"version=${LibHeinz_VERSION}")
+find_package(formfactor REQUIRED)
+message(STATUS "formfactor: found=${formfactor_FOUND}, include_dirs=${formfactor_INCLUDE_DIR}, "
+ "version=${formfactor_VERSION}")
+
find_package(Threads REQUIRED)
find_package(FFTW3 REQUIRED)