From 7b2d20340426ccdd0bd9dbc73b73f5dfb6875727 Mon Sep 17 00:00:00 2001
From: "Joachim Wuttke (h)" <j.wuttke@fz-juelich.de>
Date: Thu, 16 Dec 2021 18:35:24 +0100
Subject: [PATCH] still broken, decouple Sample from Resample

---
 Resample/Particle/IReParticle.h         |   4 +-
 Resample/Processed/Slicer.cpp           | 103 ++++++++++++++++++++++++
 Sample/Particle/Crystal.cpp             |   1 -
 Sample/Particle/IParticle.cpp           |   1 -
 Sample/Particle/IParticle.h             |   5 --
 Sample/Particle/MesoCrystal.cpp         |  34 --------
 Sample/Particle/MesoCrystal.h           |   2 -
 Sample/Particle/Particle.cpp            |  17 ----
 Sample/Particle/Particle.h              |   2 -
 Sample/Particle/ParticleComposition.cpp |   8 --
 Sample/Particle/ParticleComposition.h   |   2 -
 Sample/Particle/ParticleCoreShell.cpp   |  46 -----------
 Sample/Particle/ParticleCoreShell.h     |   2 -
 Sample/Scattering/IBornFF.cpp           |   1 -
 14 files changed, 104 insertions(+), 124 deletions(-)

diff --git a/Resample/Particle/IReParticle.h b/Resample/Particle/IReParticle.h
index 6bedb92d6be..58415fa01d1 100644
--- a/Resample/Particle/IReParticle.h
+++ b/Resample/Particle/IReParticle.h
@@ -17,7 +17,6 @@
 #define BORNAGAIN_RESAMPLE_PARTICLE_IREPARTICLE_H
 
 #include "Base/Types/ICloneable.h"
-#include "Param/Node/INode.h"
 #include "Sample/Scattering/ZLimits.h"
 #include <Eigen/Core>
 #include <heinz/Complex.h>
@@ -33,10 +32,9 @@ class WavevectorInfo;
 //! which depends on the incoming and outgoing wave vectors ki and kf.
 //! If it only depends on the scattering vector q=ki-kf, then it is a DecoratedBorn.
 
-class IReParticle : public ICloneable, public INode {
+class IReParticle : public ICloneable {
 protected:
     IReParticle() = default;
-    IReParticle(const NodeMeta& meta, const std::vector<double>& PValues);
 
 public:
     ~IReParticle() override = default;
diff --git a/Resample/Processed/Slicer.cpp b/Resample/Processed/Slicer.cpp
index 30dd08be2fe..e750f580e2e 100644
--- a/Resample/Processed/Slicer.cpp
+++ b/Resample/Processed/Slicer.cpp
@@ -15,6 +15,12 @@
 #include "Sample/Processed/Slicer.h"
 #include "Resample/Particle/ReParticle.h"
 #include "Sample/HardParticle/HardParticles.h"
+#include "Resample/Particle/ReCoreShell.h"
+#include "Resample/Particle/ParticleInSlice.h"
+#include "Resample/Particle/ReMesocrystal.h"
+#include "Resample/Particle/ReCompound.h"
+#include "Resample/Particle/ReParticle.h"
+#include "Sample/Material/MaterialFactoryFuncs.h"
 
 namespace {
 
@@ -267,3 +273,100 @@ ReParticle* preprocessor::createSlicedFormFactor(IBornFF& ff,
     throw std::runtime_error("Slicing of " + className()
                              + " not supported for the given rotation!");
 }
+
+
+ParticleInSlice ParticleCoreShell::createParticleInSlice(const ZLimits& limits) const
+{
+    ASSERT(m_core && m_shell);
+
+    // core
+    std::unique_ptr<Particle> P_core(m_core->clone());
+    if (m_rotation)
+        P_core->rotate(*m_rotation);
+    P_core->translate(m_position);
+    auto sliced_core = P_core->createParticleInSlice(limits);
+
+    // shell
+    std::unique_ptr<Particle> P_shell(m_shell->clone());
+    if (m_rotation)
+        P_shell->rotate(*m_rotation);
+    P_shell->translate(m_position);
+    auto sliced_shell = P_shell->createParticleInSlice(limits);
+    if (!sliced_shell.sliced_ff)
+        return {};
+
+    ParticleInSlice result;
+    // if core out of limits, return sliced shell
+    if (!sliced_core.sliced_ff) {
+        result.sliced_ff = std::move(sliced_shell.sliced_ff);
+        result.admixtures.push_back(sliced_shell.admixtures.back());
+        return result;
+    }
+
+    // set core ambient material
+    if (sliced_shell.admixtures.size() != 1)
+        return {};
+    auto shell_material = sliced_shell.admixtures[0].material;
+    sliced_core.sliced_ff->setAmbientMaterial(shell_material);
+
+    // construct sliced particle
+    sliced_shell.admixtures.back().fraction -= sliced_core.admixtures.back().fraction;
+    result.sliced_ff = std::make_unique<ReCoreShell>(sliced_core.sliced_ff.release(),
+                                                             sliced_shell.sliced_ff.release());
+    result.admixtures.push_back(sliced_core.admixtures.back());
+    result.admixtures.push_back(sliced_shell.admixtures.back());
+
+    return result;
+}
+
+ParticleInSlice MesoCrystal::createParticleInSlice(const ZLimits& limits) const
+{
+    ASSERT(m_crystal && m_meso_formfactor);
+
+    double unit_cell_volume = m_crystal->lattice()->unitCellVolume();
+    if (unit_cell_volume <= 0)
+        return {};
+
+    ParticleInSlice result;
+
+    std::unique_ptr<ReParticle> tem_ff(
+        m_meso_formfactor->createSlicedFormFactor(limits, m_rotation.get(), m_position));
+
+    const std::unique_ptr<Crystal> new_crystal(
+        m_crystal->transformed(m_rotation.get(), m_position));
+    const std::unique_ptr<IReParticle> new_basis_ff(new_crystal->basis()->createFormFactor());
+
+    result.sliced_ff.reset(new ReMesocrystal(*new_crystal->lattice(), *new_basis_ff, *tem_ff,
+                                                 new_crystal->position_variance()));
+
+    Admixtures& regions = result.admixtures;
+    ASSERT(regions.empty());
+    for (const auto& particle : m_crystal->basis()->decompose()) {
+        ParticleInSlice pis = particle->createParticleInSlice({});
+        regions.insert(regions.end(), pis.admixtures.begin(), pis.admixtures.end());
+    }
+    for (auto& region : regions)
+        region.fraction *= m_meso_formfactor->volume() / unit_cell_volume;
+
+    return result;
+}
+
+ParticleInSlice ParticleComposition::createParticleInSlice(const ZLimits&) const
+{
+    throw std::runtime_error("ParticleComposition does not yet support slicing");
+}
+
+
+ParticleInSlice Particle::createParticleInSlice(const ZLimits& limits) const
+{
+    ASSERT(m_formfactor);
+    std::unique_ptr<ReParticle> sliced_ff(
+        m_formfactor->createSlicedFormFactor(limits, m_rotation.get(), m_position));
+    if (!sliced_ff)
+        return {};
+    double volume = sliced_ff->volume();
+    Material transformed_material(m_rotation ? m_material.rotatedMaterial(m_rotation->rotMatrix())
+                                             : m_material);
+    sliced_ff->setMaterial(transformed_material);
+    return {std::move(sliced_ff), {{{volume, transformed_material}}}};
+}
diff --git a/Sample/Particle/Crystal.cpp b/Sample/Particle/Crystal.cpp
index d77ee179ca0..9a0fb105b78 100644
--- a/Sample/Particle/Crystal.cpp
+++ b/Sample/Particle/Crystal.cpp
@@ -17,7 +17,6 @@
 #include "Sample/Lattice/Lattice3D.h"
 #include "Sample/Particle/Particle.h"
 #include "Sample/Particle/ParticleComposition.h"
-#include "Resample/Particle/ParticleInSlice.h"
 #include "Sample/Scattering/Rotations.h"
 
 Crystal::Crystal(const IParticle& basis, const Lattice3D& lattice, double position_variance)
diff --git a/Sample/Particle/IParticle.cpp b/Sample/Particle/IParticle.cpp
index c4774207557..2e119301984 100644
--- a/Sample/Particle/IParticle.cpp
+++ b/Sample/Particle/IParticle.cpp
@@ -13,7 +13,6 @@
 //  ************************************************************************************************
 
 #include "Sample/Particle/IParticle.h"
-#include "Resample/Particle/ParticleInSlice.h"
 #include "Sample/Scattering/Rotations.h"
 
 IParticle::~IParticle() = default;
diff --git a/Sample/Particle/IParticle.h b/Sample/Particle/IParticle.h
index b8525dd62b4..296530c67b2 100644
--- a/Sample/Particle/IParticle.h
+++ b/Sample/Particle/IParticle.h
@@ -21,10 +21,8 @@
 #include <memory>
 #include <vector>
 
-struct ParticleInSlice;
 class Rotations;
 class ZLimits;
-class IReParticle;
 class IRotation;
 
 //! Abstract base class for Particle, ParticleComposition, ParticleCoreShell, MesoCrystal.
@@ -42,9 +40,6 @@ public:
     //! Creates a form factor for this particle
     virtual IReParticle* createFormFactor() const;
 
-    //! Creates a sliced form factor for this particle
-    virtual ParticleInSlice createParticleInSlice(const ZLimits& limits) const = 0;
-
     double abundance() const { return m_abundance; }
 
     //! Sets particle abundance.
diff --git a/Sample/Particle/MesoCrystal.cpp b/Sample/Particle/MesoCrystal.cpp
index 4822ab3cf13..cf93321ceeb 100644
--- a/Sample/Particle/MesoCrystal.cpp
+++ b/Sample/Particle/MesoCrystal.cpp
@@ -15,8 +15,6 @@
 #include "Sample/Particle/MesoCrystal.h"
 #include "Base/Util/Assert.h"
 #include "Sample/Particle/Crystal.h"
-#include "Resample/Particle/ReMesocrystal.h"
-#include "Resample/Particle/ParticleInSlice.h"
 #include "Sample/Scattering/IBornFF.h"
 #include "Sample/Scattering/Rotations.h"
 
@@ -48,38 +46,6 @@ std::vector<const INode*> MesoCrystal::nodeChildren() const
            << IParticle::nodeChildren() << m_crystal << m_meso_formfactor;
 }
 
-ParticleInSlice MesoCrystal::createParticleInSlice(const ZLimits& limits) const
-{
-    ASSERT(m_crystal && m_meso_formfactor);
-
-    double unit_cell_volume = m_crystal->lattice()->unitCellVolume();
-    if (unit_cell_volume <= 0)
-        return {};
-
-    ParticleInSlice result;
-
-    std::unique_ptr<ReParticle> tem_ff(
-        m_meso_formfactor->createSlicedFormFactor(limits, m_rotation.get(), m_position));
-
-    const std::unique_ptr<Crystal> new_crystal(
-        m_crystal->transformed(m_rotation.get(), m_position));
-    const std::unique_ptr<IReParticle> new_basis_ff(new_crystal->basis()->createFormFactor());
-
-    result.sliced_ff.reset(new ReMesocrystal(*new_crystal->lattice(), *new_basis_ff, *tem_ff,
-                                                 new_crystal->position_variance()));
-
-    Admixtures& regions = result.admixtures;
-    ASSERT(regions.empty());
-    for (const auto& particle : m_crystal->basis()->decompose()) {
-        ParticleInSlice pis = particle->createParticleInSlice({});
-        regions.insert(regions.end(), pis.admixtures.begin(), pis.admixtures.end());
-    }
-    for (auto& region : regions)
-        region.fraction *= m_meso_formfactor->volume() / unit_cell_volume;
-
-    return result;
-}
-
 const Crystal& MesoCrystal::particleStructure() const
 {
     ASSERT(m_crystal);
diff --git a/Sample/Particle/MesoCrystal.h b/Sample/Particle/MesoCrystal.h
index fbda66d7ce8..da248d6620a 100644
--- a/Sample/Particle/MesoCrystal.h
+++ b/Sample/Particle/MesoCrystal.h
@@ -34,8 +34,6 @@ public:
     std::string className() const final { return "MesoCrystal"; }
     std::vector<const INode*> nodeChildren() const override;
 
-    ParticleInSlice createParticleInSlice(const ZLimits& limits) const override;
-
     const IBornFF* outerShape() const { return m_meso_formfactor.get(); }
     const Crystal& particleStructure() const;
 
diff --git a/Sample/Particle/Particle.cpp b/Sample/Particle/Particle.cpp
index 8bd159a3c5c..eca525d210d 100644
--- a/Sample/Particle/Particle.cpp
+++ b/Sample/Particle/Particle.cpp
@@ -15,9 +15,6 @@
 #include "Sample/Particle/Particle.h"
 #include "Base/Util/Assert.h"
 #include "Base/Vector/RotMatrix.h"
-#include "Sample/Material/MaterialFactoryFuncs.h"
-#include "Resample/Particle/ParticleInSlice.h"
-#include "Resample/Particle/ReParticle.h"
 #include "Sample/Scattering/Rotations.h"
 
 Particle::Particle(Material material, const IBornFF& formfactor)
@@ -49,17 +46,3 @@ std::vector<const INode*> Particle::nodeChildren() const
 {
     return std::vector<const INode*>() << IParticle::nodeChildren() << m_formfactor;
 }
-
-ParticleInSlice Particle::createParticleInSlice(const ZLimits& limits) const
-{
-    ASSERT(m_formfactor);
-    std::unique_ptr<ReParticle> sliced_ff(
-        m_formfactor->createSlicedFormFactor(limits, m_rotation.get(), m_position));
-    if (!sliced_ff)
-        return {};
-    double volume = sliced_ff->volume();
-    Material transformed_material(m_rotation ? m_material.rotatedMaterial(m_rotation->rotMatrix())
-                                             : m_material);
-    sliced_ff->setMaterial(transformed_material);
-    return {std::move(sliced_ff), {{{volume, transformed_material}}}};
-}
diff --git a/Sample/Particle/Particle.h b/Sample/Particle/Particle.h
index b25718342db..7c8a8af525d 100644
--- a/Sample/Particle/Particle.h
+++ b/Sample/Particle/Particle.h
@@ -32,8 +32,6 @@ public:
     std::string className() const override { return "Particle"; }
     std::vector<const INode*> nodeChildren() const override;
 
-    ParticleInSlice createParticleInSlice(const ZLimits& limits) const override;
-
     const Material* material() const override { return &m_material; }
 
     const IBornFF* formFactor() const { return m_formfactor.get(); }
diff --git a/Sample/Particle/ParticleComposition.cpp b/Sample/Particle/ParticleComposition.cpp
index 05cb4fc153e..0371e326dff 100644
--- a/Sample/Particle/ParticleComposition.cpp
+++ b/Sample/Particle/ParticleComposition.cpp
@@ -14,8 +14,6 @@
 
 #include "Sample/Particle/ParticleComposition.h"
 #include "Base/Util/Assert.h"
-#include "Resample/Particle/ReCompound.h"
-#include "Resample/Particle/ParticleInSlice.h"
 #include "Sample/Scattering/Rotations.h"
 
 ParticleComposition::ParticleComposition() {}
@@ -85,12 +83,6 @@ IReParticle* ParticleComposition::createFormFactor() const
     return result;
 }
 
-ParticleInSlice ParticleComposition::createParticleInSlice(const ZLimits&) const
-{
-    throw std::runtime_error("ParticleComposition does not yet support slicing");
-}
-
-
 void ParticleComposition::addParticle(const IParticle& particle)
 {
     m_particles.emplace_back(particle.clone());
diff --git a/Sample/Particle/ParticleComposition.h b/Sample/Particle/ParticleComposition.h
index d53e0211e68..df63d46e342 100644
--- a/Sample/Particle/ParticleComposition.h
+++ b/Sample/Particle/ParticleComposition.h
@@ -37,8 +37,6 @@ public:
 
     IReParticle* createFormFactor() const override;
 
-    ParticleInSlice createParticleInSlice(const ZLimits& limits) const override;
-
     void addParticle(const IParticle& particle);
     void addParticle(const IParticle& particle, R3 position);
     void addParticles(const IParticle& particle, std::vector<R3> positions);
diff --git a/Sample/Particle/ParticleCoreShell.cpp b/Sample/Particle/ParticleCoreShell.cpp
index ac8a2fcb995..9cf3d5d58e8 100644
--- a/Sample/Particle/ParticleCoreShell.cpp
+++ b/Sample/Particle/ParticleCoreShell.cpp
@@ -15,9 +15,7 @@
 #include "Sample/Particle/ParticleCoreShell.h"
 
 #include "Base/Util/Assert.h"
-#include "Resample/Particle/ReCoreShell.h"
 #include "Sample/Particle/Particle.h"
-#include "Resample/Particle/ParticleInSlice.h"
 #include "Sample/Scattering/Rotations.h"
 #include <memory>
 
@@ -45,47 +43,3 @@ std::vector<const INode*> ParticleCoreShell::nodeChildren() const
 {
     return std::vector<const INode*>() << IParticle::nodeChildren() << m_core << m_shell;
 }
-
-ParticleInSlice ParticleCoreShell::createParticleInSlice(const ZLimits& limits) const
-{
-    ASSERT(m_core && m_shell);
-
-    // core
-    std::unique_ptr<Particle> P_core(m_core->clone());
-    if (m_rotation)
-        P_core->rotate(*m_rotation);
-    P_core->translate(m_position);
-    auto sliced_core = P_core->createParticleInSlice(limits);
-
-    // shell
-    std::unique_ptr<Particle> P_shell(m_shell->clone());
-    if (m_rotation)
-        P_shell->rotate(*m_rotation);
-    P_shell->translate(m_position);
-    auto sliced_shell = P_shell->createParticleInSlice(limits);
-    if (!sliced_shell.sliced_ff)
-        return {};
-
-    ParticleInSlice result;
-    // if core out of limits, return sliced shell
-    if (!sliced_core.sliced_ff) {
-        result.sliced_ff = std::move(sliced_shell.sliced_ff);
-        result.admixtures.push_back(sliced_shell.admixtures.back());
-        return result;
-    }
-
-    // set core ambient material
-    if (sliced_shell.admixtures.size() != 1)
-        return {};
-    auto shell_material = sliced_shell.admixtures[0].material;
-    sliced_core.sliced_ff->setAmbientMaterial(shell_material);
-
-    // construct sliced particle
-    sliced_shell.admixtures.back().fraction -= sliced_core.admixtures.back().fraction;
-    result.sliced_ff = std::make_unique<ReCoreShell>(sliced_core.sliced_ff.release(),
-                                                             sliced_shell.sliced_ff.release());
-    result.admixtures.push_back(sliced_core.admixtures.back());
-    result.admixtures.push_back(sliced_shell.admixtures.back());
-
-    return result;
-}
diff --git a/Sample/Particle/ParticleCoreShell.h b/Sample/Particle/ParticleCoreShell.h
index 1b6ab462d71..6f24dbc90dc 100644
--- a/Sample/Particle/ParticleCoreShell.h
+++ b/Sample/Particle/ParticleCoreShell.h
@@ -32,8 +32,6 @@ public:
     std::string className() const final { return "ParticleCoreShell"; }
     std::vector<const INode*> nodeChildren() const override;
 
-    ParticleInSlice createParticleInSlice(const ZLimits& limits) const override;
-
     const Particle* shellParticle() const { return m_shell.get(); }
     const Particle* coreParticle() const { return m_core.get(); }
 
diff --git a/Sample/Scattering/IBornFF.cpp b/Sample/Scattering/IBornFF.cpp
index 47f0e3c79f0..629d033cd2c 100644
--- a/Sample/Scattering/IBornFF.cpp
+++ b/Sample/Scattering/IBornFF.cpp
@@ -20,7 +20,6 @@
 #include "Base/Vector/WavevectorInfo.h"
 #include "Sample/Scattering/Rotations.h"
 #include "Sample/Shapes/IShape3D.h"
-#include "Resample/Processed/Slicer.h"
 #include <stdexcept>
 #include <utility>
 
-- 
GitLab