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
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
|
// ./tests/catch2-tests [section] -s
/////////////////////// Qt includes
#include <QDebug>
#include <QString>
#include <QDir>
/////////////////////// IsoSpec
#include <IsoSpec++/isoSpec++.h>
#include <IsoSpec++/element_tables.h>
/////////////////////// Catch2 includes
#include <catch2/catch_test_macros.hpp>
#include <catch2/catch_approx.hpp>
/////////////////////// libXpertMassCore includes
#include <libXpertMass/Isotope.hpp>
#include <libXpertMass/IsotopicData.hpp>
#include <libXpertMass/IsotopicDataLibraryHandler.hpp>
/////////////////////// Local includes
#include "tests-config.h"
#include "TestUtils.hpp"
namespace MsXpS
{
namespace libXpertMassCore
{
SCENARIO("IsotopicDataLibraryHandler loads data from IsoSpec++'s tables",
"[IsotopicDataLibraryHandler]")
{
TestUtils test_utils;
test_utils.initializeXpertmassLibrary();
IsotopicDataLibraryHandler isotopic_data_lib_handler;
WHEN("Constructed, the data are empty")
{
THEN("The isotopic data are empty but they are allocated")
{
REQUIRE(isotopic_data_lib_handler.getIsotopicData() != nullptr);
}
AND_WHEN("The file name is set by the setter (although not used here)")
{
isotopic_data_lib_handler.setFileName("the_file_name.dat");
THEN("The getter returns the proper file name (although not used here)")
{
REQUIRE(isotopic_data_lib_handler.getFileName().toStdString() ==
"the_file_name.dat");
}
}
}
AND_WHEN("Loading isotopic data from library")
{
std::size_t count_non_isotope_skipped_items = 0;
std::size_t loaded_isotope_count =
isotopic_data_lib_handler.loadData(count_non_isotope_skipped_items);
THEN("The number of isotopes loaded is checked")
{
REQUIRE(loaded_isotope_count + count_non_isotope_skipped_items ==
IsoSpec::isospec_number_of_isotopic_entries);
REQUIRE(isotopic_data_lib_handler.getIsotopicData()->size() ==
loaded_isotope_count);
}
}
AND_WHEN("A new IsotopicDataLibraryHandler instance is copy constructed")
{
long use_count_before_copy =
isotopic_data_lib_handler.getIsotopicData().use_count();
IsotopicDataLibraryHandler isotopic_data_lib_handler_1(
isotopic_data_lib_handler);
THEN("The instances are checked and should be identical")
{
REQUIRE(isotopic_data_lib_handler.getIsotopicData()->size() ==
isotopic_data_lib_handler_1.getIsotopicData()->size());
long use_count_after_copy =
isotopic_data_lib_handler.getIsotopicData().use_count();
REQUIRE(use_count_after_copy == use_count_before_copy + 1);
}
}
}
SCENARIO("IsotopicDataLibraryHandler writes data to file",
"[IsotopicDataLibraryHandler]")
{
IsotopicDataLibraryHandler isotopic_data_lib_handler;
WHEN("Data have been loaded, the data are checked")
{
std::size_t non_isotope_skipped_items = 0;
std::size_t loaded_isotope_count =
isotopic_data_lib_handler.loadData(non_isotope_skipped_items);
THEN("The number of isotopes loaded is checked")
{
REQUIRE(loaded_isotope_count + non_isotope_skipped_items ==
IsoSpec::isospec_number_of_isotopic_entries);
REQUIRE(isotopic_data_lib_handler.getIsotopicData()->size() ==
loaded_isotope_count);
}
AND_WHEN("Isotopic data are written to file")
{
QString isotopes_output_dir =
QString("%1/%2").arg(TESTS_OUTPUT_DIR).arg("isotopes");
QDir dir;
bool result = dir.mkpath(isotopes_output_dir);
REQUIRE(result == true);
QString output_file_name =
QString("%1/%2").arg(isotopes_output_dir).arg("isospec-tables.dat");
// qDebug() << "The write file name: " << output_file_name.toStdString()
// << std::endl;
std::size_t written_isotope_count =
isotopic_data_lib_handler.writeData(output_file_name);
THEN("The count of written isotopes is checked")
{
REQUIRE(written_isotope_count == loaded_isotope_count);
}
}
}
}
} // namespace libXpertMassCore
} // namespace MsXpS
|
