1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
|
// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/Aggregate/ParticleLayout.cpp
//! @brief Implements class ParticleLayout.
//!
//! @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/Aggregate/ParticleLayout.h"
#include "Base/Util/StringUtil.h"
#include "Sample/Aggregate/InterferenceNone.h"
#include "Sample/Particle/Particle.h"
ParticleLayout::ParticleLayout() = default;
ParticleLayout::ParticleLayout(const IParticle& particle)
{
addParticle(particle, 1.0);
}
ParticleLayout::~ParticleLayout() = default; // needs member class definitions => don't move to .h
ParticleLayout* ParticleLayout::clone() const
{
auto* result = new ParticleLayout;
result->m_particles = m_particles;
if (m_interparticle)
result->m_interparticle.reset(m_interparticle->clone());
result->setTotalParticleSurfaceDensity(totalParticleSurfaceDensity());
result->setAbsoluteWeight(m_abs_weight);
return result;
}
std::vector<const INode*> ParticleLayout::nodeChildren() const
{
std::vector<const INode*> result;
for (const IParticle* p : m_particles)
result.push_back(p);
result << m_interparticle;
return result;
}
//! Adds particle to the layout with abundance, position and the rotation defined.
//! @param particle to be added
//! @param abundance Particle abundance
void ParticleLayout::addParticle(const IParticle& particle, double abundance)
{
IParticle* p = particle.clone();
if (abundance >= 0.0)
p->setAbundance(abundance);
m_particles.push_back(p);
}
std::vector<const IParticle*> ParticleLayout::particles() const
{
std::vector<const IParticle*> result;
for (const IParticle* p : m_particles)
result.push_back(p);
return result;
}
const IInterference* ParticleLayout::interferenceFunction() const
{
return m_interparticle.get();
}
double ParticleLayout::totalAbundance() const
{
double result = 0.0;
for (const auto& particle : m_particles)
result += particle->abundance();
return result;
}
//! Adds interference functions
void ParticleLayout::setInterference(const IInterference& interparticle)
{
m_interparticle.reset(interparticle.clone());
}
double ParticleLayout::totalParticleSurfaceDensity() const
{
double iff_density = m_interparticle ? m_interparticle->particleDensity() : 0.0;
return iff_density > 0.0 ? iff_density : m_total_particle_density;
}
//! Sets total particle surface density.
//! @param particle_density: number of particles per square nanometer
void ParticleLayout::setTotalParticleSurfaceDensity(double particle_density)
{
m_total_particle_density = particle_density;
}
std::string ParticleLayout::validate() const
{
std::vector<std::string> errs;
for (size_t i = 0; i < m_particles.size(); ++i) {
std::string err = m_particles[i]->validate();
if (!err.empty())
errs.push_back("{ particle " + std::to_string(i) + ": " + err + " }");
}
if (!errs.empty())
return "[ " + Base::String::join(errs, ", ") + " ]";
return "";
}
|
