GCC Code Coverage Report

Line	Branch	Exec	Source
1			// ./tests/catch2-tests [section] -s
2
3
4			/////////////////////// Qt includes
5			#include <QDebug>
6			#include <QString>
7			#include <QDir>
8
9
10			/////////////////////// IsoSpec
11			#include <IsoSpec++/isoSpec++.h>
12			#include <IsoSpec++/element_tables.h>
13
14
15			/////////////////////// Catch2 includes
16			#include <catch2/catch_test_macros.hpp>
17			#include <catch2/matchers/catch_matchers_floating_point.hpp>
18
19
20			/////////////////////// Local includes
21			#include "TestUtils.hpp"
22			#include <libXpertMass/Monomer.hpp>
23
24			namespace MsXpS
25			{
26
27			namespace libXpertMass
28			{
29
30
31		80	SCENARIO("Monomers_s are created in the context of a PolChemDef")
32			{
33	1/2 ✓ Branch 1 taken 80 times. ✗ Branch 2 not taken.	80	TestUtils test_utils;
34	1/2 ✓ Branch 1 taken 80 times. ✗ Branch 2 not taken.	80	test_utils.m_polChemDefName = "protein-1-letter";
35	1/2 ✓ Branch 1 taken 80 times. ✗ Branch 2 not taken.	80	test_utils.m_polChemDefDirName = "protein-1-letter";
36	1/2 ✓ Branch 1 taken 80 times. ✗ Branch 2 not taken.	80	test_utils.m_polChemDefFileBaseName = "protein-1-letter.xml";
37
38	1/2 ✓ Branch 1 taken 80 times. ✗ Branch 2 not taken.	80	test_utils.initializePolChemDef();
39		80	PolChemDefCstSPtr pol_chem_def_csp = test_utils.m_polChemDefSPtr;
40
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45	6/16 ✓ Branch 4 taken 80 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 80 times. ✗ Branch 9 not taken. ✓ Branch 12 taken 80 times. ✗ Branch 13 not taken. ✓ Branch 15 taken 80 times. ✗ Branch 16 not taken. ✓ Branch 18 taken 80 times. ✗ Branch 19 not taken. ✓ Branch 22 taken 80 times. ✗ Branch 23 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	80	REQUIRE(pol_chem_def_csp->cleaveSpecList().size() == 8);
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47
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49			{
50
51	7/14 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 16 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 16 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 16 times. ✗ Branch 24 not taken.	16	WHEN("A Monomer is allocated without specifying the formula")
52			{
53	3/6 ✓ Branch 2 taken 16 times. ✗ Branch 3 not taken. ✓ Branch 5 taken 16 times. ✗ Branch 6 not taken. ✓ Branch 9 taken 16 times. ✗ Branch 10 not taken.	16	Monomer monomer_1 = Monomer(pol_chem_def_csp, "Tryptophan", "W");
54
55	8/14 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 16 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 16 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 12 times.	16	THEN(
56			"Checks can be performed, the monomer should not validate because of "
57			"no formula")
58			{
59	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(monomer_1.formula().toStdString() == "");
60	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.checkCodeSyntax() == true);
61	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.isNameKnown() != -1);
62	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken. ✓ Branch 28 taken 4 times. ✗ Branch 29 not taken. ✗ Branch 35 not taken. ✗ Branch 36 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken.	4	REQUIRE(Monomer::isNameInList("Tryptophan",
63			pol_chem_def_csp->monomerList()) != -1);
64	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.isCodeKnown() != -1);
65	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken. ✓ Branch 28 taken 4 times. ✗ Branch 29 not taken. ✗ Branch 35 not taken. ✗ Branch 36 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken.	4	REQUIRE(Monomer::isCodeInList("W", pol_chem_def_csp->monomerList()) !=
66			-1);
67	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.validate() != true);
68		16	}
69
70	8/14 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 16 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 16 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 12 times.	16	AND_WHEN("setFormula is called")
71			{
72	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	monomer_1.setFormula(test_utils.m_tryptophanFormulaString);
73
74	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN(
75			"The member data should change and now the monomer should validate")
76			{
77	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 4 times. ✗ Branch 23 not taken. ✓ Branch 29 taken 4 times. ✗ Branch 30 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken. ✗ Branch 41 not taken. ✗ Branch 42 not taken.	4	REQUIRE(monomer_1.formula().toStdString() ==
78			test_utils.m_tryptophanFormulaString.toStdString());
79	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.validate() == true);
80		4	}
81		16	}
82
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84			{
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86			{
87		4	double mono = 0;
88		4	double avg = 0;
89
90	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.mono() == 0);
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92
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96
97	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Ponderable ponderable(0, 0);
98	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.accountMasses(&ponderable, 1) == true);
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101		8	}
102		16	}
103
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105			{
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107			MonomerChemEnt::MONOMER_CHEMENT_NONE) == true);
108
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110			"Mass calculations still cannot be performed because no formula was "
111			"set")
112			{
113		4	double mono = 0;
114		4	double avg = 0;
115
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118
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122
123	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Ponderable ponderable(0, 0);
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127		8	}
128		16	}
129		32	}
130		80	}
131
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133			{
134
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136			"A Monomer is allocated specifying the formula and with erroneous code")
137			{
138			Monomer monomer_1 =
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140
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142			"Checks can be performed, the monomer should not validate because of "
143			"the code")
144			{
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149			pol_chem_def_csp->monomerList()) != -1);
150	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.isCodeKnown() == -1);
151	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken. ✓ Branch 28 taken 4 times. ✗ Branch 29 not taken. ✗ Branch 35 not taken. ✗ Branch 36 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken.	4	REQUIRE(Monomer::isCodeInList("Wy", pol_chem_def_csp->monomerList()) ==
152			-1);
153
154	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.validate() == false);
155		8	}
156
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158			{
159	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	monomer_1.setName("Tryptofan");
160
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162			{
163	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.isNameKnown() == -1);
164	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken. ✓ Branch 28 taken 4 times. ✗ Branch 29 not taken. ✗ Branch 35 not taken. ✗ Branch 36 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken.	4	REQUIRE(Monomer::isNameInList("Tryptofan",
165			pol_chem_def_csp->monomerList()) == -1);
166		4	}
167		8	}
168		16	}
169		80	}
170
171	8/14 ✓ Branch 1 taken 80 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 80 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 80 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 80 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 80 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 80 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 12 times. ✓ Branch 24 taken 68 times.	80	GIVEN("An allocated polymer chemistry definition")
172			{
173
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175			"A Monomer is allocated by specifying the formula along with name and "
176			"code")
177			{
178			Monomer monomer_1 =
179	4/8 ✓ Branch 1 taken 12 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 12 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 12 times. ✗ Branch 8 not taken. ✓ Branch 11 taken 12 times. ✗ Branch 12 not taken.	12	Monomer(pol_chem_def_csp, "Tryptophan", "W", "C11H10N2O1");
180
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182			{
183	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(monomer_1.name().toStdString() == "Tryptophan");
184	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(monomer_1.code().toStdString() == "W");
185	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(monomer_1.formula().toStdString() == "C11H10N2O1");
186
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189			pol_chem_def_csp->monomerList()) != -1);
190	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.isCodeKnown() != -1);
191	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken. ✓ Branch 28 taken 4 times. ✗ Branch 29 not taken. ✗ Branch 35 not taken. ✗ Branch 36 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken.	4	REQUIRE(Monomer::isCodeInList("W", pol_chem_def_csp->monomerList()) !=
192			-1);
193	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.validate() == true);
194		12	}
195
196	8/14 ✓ Branch 1 taken 12 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 12 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 12 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 12 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 12 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 12 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 8 times. ✓ Branch 24 taken 4 times.	12	AND_WHEN("calculateMasses() has not been called")
197			{
198	8/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 4 times.	8	THEN("Mass calculations cannot be performed")
199			{
200		4	double mono = 0;
201		4	double avg = 0;
202
203	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.mono() == 0);
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205
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207	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(mono == 0.0);
208	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(avg == 0.0);
209
210	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Ponderable ponderable(0, 0);
211	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.accountMasses(&ponderable, 1) == true);
212	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(ponderable.mono() == 0.0);
213	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(ponderable.avg() == 0.0);
214		12	}
215
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217			{
218	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.calculateMasses(
219			MonomerChemEnt::MONOMER_CHEMENT_NONE) == true);
220
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222			{
223			// qDebug() << "The formula: " <<
224			// monomer_1.formula().toStdString();
225
226		4	double mono = 0;
227		4	double avg = 0;
228
229	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(
230			monomer_1.mono(),
231			Catch::Matchers::WithinAbs(186.0793129513, 0.0000000001));
232	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(
233			monomer_1.avg(),
234			Catch::Matchers::WithinAbs(186.2113005359, 0.0000000001));
235
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238			mono, Catch::Matchers::WithinAbs(186.0793129513, 0.0000000001));
239	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 25 not taken. ✗ Branch 26 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken.	4	REQUIRE_THAT(
240			avg, Catch::Matchers::WithinAbs(186.2113005359, 0.0000000001));
241
242	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Ponderable ponderable(0, 0);
243	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.accountMasses(&ponderable, 1) == true);
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245			ponderable.mono(),
246			Catch::Matchers::WithinAbs(186.0793129513, 0.0000000001));
247	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(
248			ponderable.avg(),
249			Catch::Matchers::WithinAbs(186.2113005359, 0.0000000001));
250
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252			{
253	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.validate() == true);
254		4	}
255		8	}
256		8	}
257		12	}
258		24	}
259		80	}
260
261	8/14 ✓ Branch 1 taken 80 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 80 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 80 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 80 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 80 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 80 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 20 times. ✓ Branch 24 taken 60 times.	80	GIVEN("An allocated polymer chemistry definition")
262			{
263
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265			{
266			Monomer monomer_1 =
267	4/8 ✓ Branch 1 taken 20 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 20 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 20 times. ✗ Branch 8 not taken. ✓ Branch 11 taken 20 times. ✗ Branch 12 not taken.	20	Monomer(pol_chem_def_csp, "Tryptophan", "W", "C11H10N2O1");
268
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270			{
271			// qDebug() << "235 The formula: " <<
272			// monomer_1.formula().toStdString();
273
274	6/16 ✓ Branch 4 taken 20 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 20 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 20 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 20 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 20 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 20 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	20	REQUIRE(monomer_1.calculateMasses() == true);
275
276	6/16 ✓ Branch 4 taken 20 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 20 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 20 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 20 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 20 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 20 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	20	REQUIRE_THAT(monomer_1.mono(),
277			Catch::Matchers::WithinAbs(186.0793129513, 0.0000000001));
278	6/16 ✓ Branch 4 taken 20 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 20 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 20 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 20 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 20 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 20 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	20	REQUIRE_THAT(monomer_1.avg(),
279			Catch::Matchers::WithinAbs(186.2113005359, 0.0000000001));
280
281	8/14 ✓ Branch 1 taken 20 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 20 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 20 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 20 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 20 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 20 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 16 times. ✓ Branch 24 taken 4 times.	20	THEN(
282			"A copy-constructed Monomer can be allocated and tested for equality")
283			{
284	1/2 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken.	16	Monomer monomer_2(monomer_1);
285
286	9/22 ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 16 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 16 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 16 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 16 times. ✗ Branch 23 not taken. ✓ Branch 25 taken 16 times. ✗ Branch 26 not taken. ✓ Branch 33 taken 16 times. ✗ Branch 34 not taken. ✗ Branch 43 not taken. ✗ Branch 44 not taken. ✗ Branch 46 not taken. ✗ Branch 47 not taken.	16	REQUIRE(monomer_2.name().toStdString() ==
287			monomer_1.name().toStdString());
288	9/22 ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 16 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 16 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 16 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 16 times. ✗ Branch 23 not taken. ✓ Branch 25 taken 16 times. ✗ Branch 26 not taken. ✓ Branch 33 taken 16 times. ✗ Branch 34 not taken. ✗ Branch 43 not taken. ✗ Branch 44 not taken. ✗ Branch 46 not taken. ✗ Branch 47 not taken.	16	REQUIRE(monomer_2.code().toStdString() ==
289			monomer_1.code().toStdString());
290	9/22 ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 16 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 16 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 16 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 16 times. ✗ Branch 23 not taken. ✓ Branch 25 taken 16 times. ✗ Branch 26 not taken. ✓ Branch 33 taken 16 times. ✗ Branch 34 not taken. ✗ Branch 43 not taken. ✗ Branch 44 not taken. ✗ Branch 46 not taken. ✗ Branch 47 not taken.	16	REQUIRE(monomer_2.formula().toStdString() ==
291			monomer_1.formula().toStdString());
292	7/18 ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 16 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 16 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 16 times. ✗ Branch 20 not taken. ✓ Branch 23 taken 16 times. ✗ Branch 24 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken. ✗ Branch 32 not taken. ✗ Branch 33 not taken.	16	REQUIRE(monomer_2.mono() == monomer_1.mono());
293	7/18 ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 16 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 16 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 16 times. ✗ Branch 20 not taken. ✓ Branch 23 taken 16 times. ✗ Branch 24 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken. ✗ Branch 32 not taken. ✗ Branch 33 not taken.	16	REQUIRE(monomer_2.avg() == monomer_1.avg());
294
295	5/14 ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 16 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 16 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	16	REQUIRE(monomer_2 == monomer_1);
296	6/16 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 16 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 16 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 16 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	16	REQUIRE_FALSE(monomer_2 != monomer_1);
297
298	8/14 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 16 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 16 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 12 times.	16	AND_THEN("If formula is changed, the tests results must negate")
299			{
300	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	monomer_2.setFormula("+H2O-CH3COOH");
301
302	6/16 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE_FALSE(monomer_2 == monomer_1);
303	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(monomer_2 != monomer_1);
304		16	}
305
306	8/14 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 16 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 16 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 12 times.	16	AND_THEN("If the masses are changed, the tests results must negate")
307			{
308			// qDebug() << "The name: " << monomer_2.name().toStdString();
309	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	monomer_2.setMasses(120, 130);
310
311	6/16 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE_FALSE(monomer_2 == monomer_1);
312	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(monomer_2 != monomer_1);
313		16	}
314
315	8/14 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 16 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 16 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 12 times.	16	AND_THEN(
316			"If the Monomer name is changed, the tests results must negate")
317			{
318			// qDebug() << "The name: " << monomer_2.name().toStdString();
319	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	monomer_2.setName("Glycine");
320
321	6/16 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE_FALSE(monomer_2 == monomer_1);
322	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(monomer_2 != monomer_1);
323		16	}
324
325	8/14 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 16 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 16 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 12 times.	16	AND_THEN(
326			"If the Monomer code is changed, the tests results must negate")
327			{
328			// qDebug() << "The code: " << monomer_2.code().toStdString();
329	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	monomer_2.setCode("G");
330
331	6/16 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE_FALSE(monomer_2 == monomer_1);
332	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(monomer_2 != monomer_1);
333		16	}
334		36	}
335
336	8/14 ✓ Branch 1 taken 20 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 20 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 20 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 20 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 20 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 20 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 16 times.	20	THEN(
337			"An operator= assignment-constructed Monomer can be allocated and "
338			"tested for equality")
339			{
340	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Monomer monomer_3 = monomer_1;
341	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(monomer_3 == monomer_1);
342	6/16 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE_FALSE(monomer_3 != monomer_1);
343		24	}
344		20	}
345		40	}
346		80	}
347
348	8/14 ✓ Branch 1 taken 80 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 80 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 80 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 80 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 80 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 80 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 8 times. ✓ Branch 24 taken 72 times.	80	GIVEN("An allocated polymer chemistry definition")
349			{
350
351	7/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 8 times. ✗ Branch 24 not taken.	8	WHEN("A Monomer is allocated")
352			{
353			Monomer monomer_1 =
354	4/8 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 11 taken 8 times. ✗ Branch 12 not taken.	8	Monomer(pol_chem_def_csp, "Tryptophan", "W", "C11H10N2O1");
355
356	8/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 4 times.	8	THEN("The Monomer might be printed out as an XML string for PolChemDef")
357			{
358	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	QString expected_string = "<mnm>\n";
359	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += " <name>Tryptophan</name>\n";
360	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += " <code>W</code>\n";
361	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += " <formula>C11H10N2O1</formula>\n";
362	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += "</mnm>\n";
363
364			QString *formatted_xml_element_string_p =
365	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	monomer_1.formatXmlMnmElement(0, " ");
366
367	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(formatted_xml_element_string_p->toStdString() ==
368			expected_string.toStdString());
369		12	}
370
371	8/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 4 times.	8	AND_WHEN("That monomer is modified with Oxidation")
372			{
373			std::unique_ptr<Modif> oxidation_up =
374	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	std::make_unique<Modif>(pol_chem_def_csp, "Oxidation", "+O");
375		4	QStringList errorList;
376
377	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	4	REQUIRE(monomer_1.isModifTarget(*oxidation_up.get()) == true);
378
379	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	4	REQUIRE(monomer_1.modify(oxidation_up.get(),
380			/* override modif count */ false,
381			errorList) == true);
382
383	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN(
384			"The Monomer might be printed out as an XML string for a polymer "
385			"sequence")
386			{
387	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	QString expected_string = "<monomer>\n";
388	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += " <code>W</code>\n";
389	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += " <mdf>\n";
390	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += " <name>Oxidation</name>\n";
391	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += " <formula>+O</formula>\n";
392	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += " <targets>*</targets>\n";
393	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += " <maxcount>1</maxcount>\n";
394	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += " </mdf>\n";
395	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	expected_string += "</monomer>\n";
396
397			QString *formatted_xml_element_string_p =
398	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	monomer_1.formatXmlMonomerElement(0, " ");
399
400	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(formatted_xml_element_string_p->toStdString() ==
401			expected_string.toStdString());
402		8	}
403		12	}
404		16	}
405		80	}
406
407	8/14 ✓ Branch 1 taken 80 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 80 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 80 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 80 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 80 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 80 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 8 times. ✓ Branch 24 taken 72 times.	80	GIVEN("An allocated polymer chemistry definition")
408			{
409
410	7/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 8 times. ✗ Branch 24 not taken.	8	WHEN(
411			"A Monomer is allocated and modified with a modif that targets the "
412			"monomer")
413			{
414			Monomer monomer_1 =
415	4/8 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 11 taken 8 times. ✗ Branch 12 not taken.	8	Monomer(pol_chem_def_csp, "Tryptophan", "W", "C11H10N2O1");
416
417			std::unique_ptr<Modif> oxidation_up =
418	1/2 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken.	8	std::make_unique<Modif>(pol_chem_def_csp, "Oxidation", "+O");
419		8	QStringList errorList;
420	2/4 ✓ Branch 2 taken 8 times. ✗ Branch 3 not taken. ✓ Branch 5 taken 8 times. ✗ Branch 6 not taken.	8	oxidation_up->setTargets("W");
421
422	8/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 4 times.	8	THEN(
423			"The monomer should be a target of the modification and modification "
424			"should proceed")
425			{
426	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	4	REQUIRE(monomer_1.isModifTarget(*oxidation_up.get()) == true);
427
428	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	4	REQUIRE(monomer_1.modify(oxidation_up.get(),
429			/* override modif count */ false,
430			errorList) == true);
431		8	}
432
433	8/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 4 times.	8	AND_WHEN("The Modif is changed not to target the monomer")
434			{
435	2/4 ✓ Branch 2 taken 4 times. ✗ Branch 3 not taken. ✓ Branch 5 taken 4 times. ✗ Branch 6 not taken.	4	oxidation_up->setTargets("S;T,Y");
436
437	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN(
438			"The monomer is no more a target of the Modif and modification "
439			"shoudl fail")
440			{
441	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	4	REQUIRE(monomer_1.isModifTarget(*oxidation_up.get()) == false);
442
443	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	4	REQUIRE(monomer_1.modify(oxidation_up.get(),
444			/* override modif count */ false,
445			errorList) == false);
446		4	}
447		8	}
448		16	}
449		80	}
450
451	8/14 ✓ Branch 1 taken 80 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 80 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 80 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 80 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 80 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 80 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 8 times. ✓ Branch 24 taken 72 times.	80	GIVEN("An allocated polymer chemistry definition")
452			{
453
454	7/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 8 times. ✗ Branch 24 not taken.	8	WHEN("A Monomer is allocated and modified")
455			{
456			Monomer monomer_1 =
457	4/8 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 11 taken 8 times. ✗ Branch 12 not taken.	8	Monomer(pol_chem_def_csp, "Tryptophan", "W", "C11H10N2O1");
458
459			std::unique_ptr<Modif> oxidation_up =
460	1/2 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken.	8	std::make_unique<Modif>(pol_chem_def_csp, "Oxidation", "+O");
461	6/16 ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 8 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 8 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 8 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 8 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	8	REQUIRE(oxidation_up->calculateMasses() == true);
462		8	QStringList errorList;
463
464	6/16 ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 8 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 8 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 8 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 8 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	8	REQUIRE(monomer_1.modify(oxidation_up.get(),
465			/* override modif count */ false,
466			errorList) == true);
467	6/16 ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 11 taken 8 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 8 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 8 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	8	REQUIRE(monomer_1.modifList()->size() == 1);
468	6/16 ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 8 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 8 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 8 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	8	REQUIRE(monomer_1.calculateMasses(
469			MonomerChemEnt::MONOMER_CHEMENT_MODIF) == true);
470
471	8/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 4 times.	8	THEN("The masses accounted do change accordingly")
472			{
473		4	double mono = 0;
474		4	double avg = 0;
475
476	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(monomer_1.mono(),
477			Catch::Matchers::WithinAbs(202.0742275715, 0.0000000001));
478	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(monomer_1.avg(),
479			Catch::Matchers::WithinAbs(202.2107092530, 0.0000000001));
480
481	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.accountMasses(&mono, &avg) == true);
482	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 25 not taken. ✗ Branch 26 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken.	4	REQUIRE_THAT(mono,
483			Catch::Matchers::WithinAbs(202.0742275715, 0.0000000001));
484	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 25 not taken. ✗ Branch 26 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken.	4	REQUIRE_THAT(avg,
485			Catch::Matchers::WithinAbs(202.2107092530, 0.0000000001));
486
487	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Ponderable ponderable(0, 0);
488	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.accountMasses(&ponderable, 1) == true);
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490			Catch::Matchers::WithinAbs(202.0742275715, 0.0000000001));
491	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(ponderable.avg(),
492			Catch::Matchers::WithinAbs(202.2107092530, 0.0000000001));
493		12	}
494
495	8/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 4 times.	8	AND_WHEN(
496			"The monomer is unmodified, and the recalculated masses should update")
497			{
498	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	4	REQUIRE(monomer_1.unmodify(oxidation_up.get()) == true);
499
500	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.calculateMasses(
501			MonomerChemEnt::MONOMER_CHEMENT_MODIF) == true);
502
503		4	double mono = 0;
504		4	double avg = 0;
505
506	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(monomer_1.mono(),
507			Catch::Matchers::WithinAbs(186.0793129513, 0.0000000001));
508	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(monomer_1.avg(),
509			Catch::Matchers::WithinAbs(186.2113005359, 0.0000000001));
510
511	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.accountMasses(&mono, &avg) == true);
512	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 25 not taken. ✗ Branch 26 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken.	4	REQUIRE_THAT(mono,
513			Catch::Matchers::WithinAbs(186.0793129513, 0.0000000001));
514	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 25 not taken. ✗ Branch 26 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken.	4	REQUIRE_THAT(avg,
515			Catch::Matchers::WithinAbs(186.2113005359, 0.0000000001));
516
517	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Ponderable ponderable(0, 0);
518	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(monomer_1.accountMasses(&ponderable, 1) == true);
519	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(ponderable.mono(),
520			Catch::Matchers::WithinAbs(186.0793129513, 0.0000000001));
521	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(ponderable.avg(),
522			Catch::Matchers::WithinAbs(186.2113005359, 0.0000000001));
523		12	}
524		16	}
525		80	}
526		80	}
527
528
529			} // namespace libXpertMass
530			} // namespace MsXpS
531