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// ./tests/catch2-tests [section] -s |
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/////////////////////// Qt includes |
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#include <QDebug> |
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#include <QString> |
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#include <QDir> |
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/////////////////////// IsoSpec |
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#include <IsoSpec++/isoSpec++.h> |
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#include <IsoSpec++/element_tables.h> |
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/////////////////////// Catch2 includes |
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#include <catch2/catch_test_macros.hpp> |
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#include <catch2/matchers/catch_matchers_floating_point.hpp> |
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/////////////////////// Local includes |
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#include "tests-config.h" |
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#include <libXpertMass/Ponderable.hpp> |
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namespace MsXpS |
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{ |
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namespace libXpertMass |
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{ |
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SCENARIO("A Ponderable is an entity that has masses (monoisotopic and average)") |
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{ |
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Ponderable ponderable_1; |
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double test_mono_1 = 16941.973; |
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double test_avg_1 = 16952.366; |
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GIVEN("An allocated empty Ponderable") |
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{ |
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THEN("The member masses are 0") |
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{ |
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REQUIRE(ponderable_1.mono() == 0); |
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REQUIRE(ponderable_1.avg() == 0); |
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} |
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} |
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GIVEN("An initialization with setters") |
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{ |
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ponderable_1.setMono(test_mono_1); |
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ponderable_1.setAvg(test_avg_1); |
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THEN( |
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"The masses are set to the members and can be gotten back in various " |
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"ways") |
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{ |
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REQUIRE(ponderable_1.mono() == test_mono_1); |
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REQUIRE(ponderable_1.avg() == test_avg_1); |
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REQUIRE(ponderable_1.mass(MassType::MASS_MONO) == test_mono_1); |
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REQUIRE(ponderable_1.mass(MassType::MASS_AVG) == test_avg_1); |
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double mono_mass = 0; |
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double avg_mass = 0; |
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ponderable_1.masses(&mono_mass, &avg_mass); |
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REQUIRE(mono_mass == test_mono_1); |
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REQUIRE(avg_mass == test_avg_1); |
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mono_mass = ponderable_1.rmono(); |
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REQUIRE(mono_mass == test_mono_1); |
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avg_mass = ponderable_1.ravg(); |
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REQUIRE(avg_mass == test_avg_1); |
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} |
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THEN("Clearing the masses must set them to 0") |
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{ |
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ponderable_1.clearMasses(); |
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REQUIRE(ponderable_1.mono() == 0); |
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REQUIRE(ponderable_1.avg() == 0); |
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} |
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} |
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GIVEN("An initialization with setters") |
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{ |
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ponderable_1.setMono(test_mono_1); |
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ponderable_1.setAvg(test_avg_1); |
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WHEN("A new instance is constructed with the copy constructor") |
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{ |
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Ponderable ponderable_2(ponderable_1); |
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THEN("The masses should be identical in both objects") |
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{ |
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REQUIRE(ponderable_1.mono() == ponderable_2.mono()); |
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REQUIRE(ponderable_1.avg() == ponderable_2.avg()); |
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} |
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} |
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} |
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GIVEN("An initialization with setters") |
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{ |
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ponderable_1.setMono(test_mono_1); |
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ponderable_1.setAvg(test_avg_1); |
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Ponderable ponderable_2(ponderable_1); |
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WHEN("Mass increments are performed") |
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{ |
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ponderable_1.incrementMono(12345.6789); |
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ponderable_1.incrementAvg(12345.8025); |
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ponderable_2.incrementMass(12345.6789, MassType::MASS_MONO); |
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ponderable_2.incrementMass(12345.8025, MassType::MASS_AVG); |
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THEN("The masses should vary accordingly") |
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{ |
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REQUIRE_THAT(ponderable_1.mono(), |
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Catch::Matchers::WithinAbs(29287.651900, 0.000001)); |
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REQUIRE_THAT(ponderable_1.avg(), |
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Catch::Matchers::WithinAbs(29298.16850, 0.000001)); |
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REQUIRE_THAT(ponderable_2.mono(), |
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Catch::Matchers::WithinAbs(29287.651900, 0.000001)); |
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REQUIRE_THAT(ponderable_2.avg(), |
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Catch::Matchers::WithinAbs(29298.16850, 0.000001)); |
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} |
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} |
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WHEN("Mass decrements are performed") |
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{ |
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ponderable_1.decrementMono(345.6789); |
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ponderable_1.decrementAvg(345.8025); |
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ponderable_2.decrementMass(345.6789, MassType::MASS_MONO); |
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ponderable_2.decrementMass(345.8025, MassType::MASS_AVG); |
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THEN("The masses should vary accordingly") |
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{ |
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REQUIRE_THAT(ponderable_1.mono(), |
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Catch::Matchers::WithinAbs(16596.2941, 0.000001)); |
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REQUIRE_THAT(ponderable_1.avg(), |
| 143 |
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Catch::Matchers::WithinAbs(16606.5635, 0.000001)); |
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REQUIRE_THAT(ponderable_2.mono(), |
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Catch::Matchers::WithinAbs(16596.2941, 0.000001)); |
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REQUIRE_THAT(ponderable_2.avg(), |
| 148 |
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Catch::Matchers::WithinAbs(16606.5635, 0.000001)); |
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} |
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} |
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WHEN("Accounting masses to external masses is performed") |
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{ |
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double outer_mono_mass = 1000.000001; |
| 155 |
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double outer_avg_mass = 1000.0000007; |
| 156 |
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|
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ponderable_1.accountMasses(&outer_mono_mass, &outer_avg_mass); |
| 158 |
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THEN("The masses should vary accordingly") |
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{ |
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REQUIRE_THAT(outer_mono_mass, |
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Catch::Matchers::WithinAbs(17941.9730010, 0.000001)); |
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REQUIRE_THAT(outer_avg_mass, |
| 164 |
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Catch::Matchers::WithinAbs(17952.36600070, 0.000001)); |
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} |
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} |
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WHEN("Printing masses using strings with defined decimal places") |
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{ |
| 170 |
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int decimalPlaces = 3; |
| 171 |
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|
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QString mono_string = ponderable_1.monoString(decimalPlaces); |
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QString avg_string = ponderable_1.avgString(decimalPlaces); |
| 174 |
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THEN("The strings should show the right number of decimals") |
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{ |
| 177 |
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REQUIRE(mono_string.toStdString() == "16941.973"); |
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REQUIRE(avg_string.toStdString() == "16952.366"); |
| 179 |
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} |
| 180 |
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AND_WHEN("Changing the number of decimals") |
| 182 |
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{ |
| 183 |
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decimalPlaces = 2; |
| 184 |
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|
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QString mono_string = ponderable_1.monoString(decimalPlaces); |
| 186 |
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QString avg_string = ponderable_1.avgString(decimalPlaces); |
| 187 |
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THEN("The strings should show the right number of decimals") |
| 189 |
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{ |
| 190 |
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REQUIRE(mono_string.toStdString() == "16941.97"); |
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REQUIRE(avg_string.toStdString() == "16952.37"); |
| 192 |
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} |
| 193 |
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20 |
} |
| 194 |
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|
| 195 |
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AND_WHEN("Changing the number of decimals once again") |
| 196 |
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{ |
| 197 |
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4 |
decimalPlaces = 1; |
| 198 |
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|
| 199 |
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QString mono_string = ponderable_1.monoString(decimalPlaces); |
| 200 |
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QString avg_string = ponderable_1.avgString(decimalPlaces); |
| 201 |
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|
| 202 |
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THEN("The strings should show the right number of decimals with proper rounding") |
| 203 |
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{ |
| 204 |
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4 |
REQUIRE(mono_string.toStdString() == "16942.0"); |
| 205 |
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REQUIRE(avg_string.toStdString() == "16952.4"); |
| 206 |
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4 |
} |
| 207 |
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20 |
} |
| 208 |
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|
| 209 |
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AND_WHEN("Changing the number of decimals once again") |
| 210 |
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{ |
| 211 |
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4 |
decimalPlaces = 0; |
| 212 |
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|
| 213 |
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QString mono_string = ponderable_1.monoString(decimalPlaces); |
| 214 |
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QString avg_string = ponderable_1.avgString(decimalPlaces); |
| 215 |
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|
| 216 |
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4 |
THEN("The strings should show the right number of decimals") |
| 217 |
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{ |
| 218 |
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4 |
REQUIRE(mono_string.toStdString() == "16942"); |
| 219 |
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4 |
REQUIRE(avg_string.toStdString() == "16952"); |
| 220 |
|
4 |
} |
| 221 |
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20 |
} |
| 222 |
|
44 |
} |
| 223 |
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72 |
} |
| 224 |
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44 |
} |
| 225 |
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|
| 226 |
|
|
} // namespace libXpertMass |
| 227 |
|
|
} // namespace MsXpS |
| 228 |
|
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|