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
|
// SPDX-License-Identifier: LGPL-3.0-or-later
// Author: Kristian Lytje
#include <fitter/FitResult.h>
#include <fitter/Fitter.h>
#include <dataset/Dataset.h>
#include <utility/Exceptions.h>
#include <utility/Utility.h>
#include <mini/detail/FittedParameter.h>
#include <mini/detail/Evaluation.h>
#include <sstream>
using namespace ausaxs;
using namespace ausaxs::fitter;
FitResult::FitResult(const mini::Result& res, double chi2, unsigned int dof) noexcept : Result(res), dof(dof) {
fval = chi2;
}
void FitResult::add_fit(observer_ptr<FitResult> fit, bool front) noexcept {
if (front) {
parameters.insert(parameters.begin(), fit->parameters.begin(), fit->parameters.end());
} else {
parameters.insert(parameters.end(), fit->parameters.begin(), fit->parameters.end());
}
dof -= fit->parameters.size();
}
void FitResult::set_data_curves(NamedDataset&& curves_) {
curves = std::move(curves_);
if (curves.size_cols() != 5) {throw except::invalid_argument("FitResult::set_data_curves: Invalid number of columns. Expected | q | I | I_err | I_fit | residuals |.");}
if (curves.is_named() && curves.get_col_names() != std::vector<std::string>{"q", "I", "I_err", "I_fit", "residuals"}) {
throw except::invalid_argument("FitResult::set_data_curves: Invalid column names. Expected | q | I | I_err | I_fit | residuals |.");
}
else {curves.set_col_names({"q", "I", "I_err", "I_fit", "residuals"});}
}
void FitResult::set_data_curves(std::vector<double>&& q, std::vector<double>&& data, std::vector<double>&& data_err, std::vector<double>&& model, std::vector<double>&& residuals) {
curves = NamedDataset(
{{std::move(q), std::move(data), std::move(data_err), std::move(model), std::move(residuals)}},
{"q", "I", "I_err", "I_fit", "residuals"}
);
}
std::string FitResult::to_string() const noexcept {
std::stringstream ss;
ss << "+----------------------------------------------------------+"
<< "\n| FIT REPORT |"
<< "\n+----------------------------------------------------------+"
<< "\n| Converged: " << (status == 0 ? "yes" : "no ") << " Fevals: " << utility::print_element(fevals, 4) << " |"
<< "\n| chi2: " << utility::print_element(fval, 10) << " dof: " << utility::print_element(dof, 6) << " chi2/dof: " << utility::print_element(fval/dof, 12) << " |"
<< "\n+----------------------------------------------------------+"
<< "\n| PAR | VAL | UNC | |";
for (const auto& e : parameters) {
ss << "\n| " << utility::print_element(e.name, 8) << " | " << utility::print_element(e.value, 12) << " | " << utility::print_element(e.mean_error(), 12) << " | |";
}
ss << "\n+----------------------------------------------------------+";
return ss.str();
}
|
