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Commit f994919c authored by Langella Olivier's avatar Langella Olivier
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check the number of atom on amino acid, before and after adding modification

parent f0b36982
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......@@ -135,8 +135,17 @@ TEST_CASE("Amino Acid test suite.", "[Aa]")
Aa alaninebis('A');
REQUIRE(alaninebis.getNumberOfAtom(AtomIsotopeSurvey::C) == 3);
REQUIRE(alaninebis.getNumberOfAtom(AtomIsotopeSurvey::H) == 5);
// xref: DiffFormula: "C 2 H 3 N 1 O 1"
alaninebis.addAaModification(AaModification::getInstance("MOD:00397"));
REQUIRE(alaninebis.getNumberOfAtom(AtomIsotopeSurvey::C) == 5);
REQUIRE(alaninebis.getNumberOfAtom(AtomIsotopeSurvey::H) == 8);
REQUIRE(alaninebis.toAbsoluteString().toStdString() == "A(MOD:00397)");
alaninebis.addAaModification(
AaModification::getInstanceCustomizedMod(18.022316354654));
// SUCCESS
......
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