C++ (Cpp) EmpiricalFormula::getCharge Exemples

Exemple #1

Fichier : EmpiricalFormula_test.cpp Projet : BioinformaticsArchive/OpenMS

        EmpiricalFormula e2("(12)C5(13)C4");
        EmpiricalFormula e3("C9");
  TEST_REAL_SIMILAR(e1.getMonoWeight(), e2.getMonoWeight())
  TEST_REAL_SIMILAR(e1.getMonoWeight(), 112.013419)
  TEST_REAL_SIMILAR(e2.getMonoWeight(), 112.013419)
END_SECTION

START_SECTION(EmpiricalFormula(const EmpiricalFormula& rhs))
  EmpiricalFormula ef(*e_ptr);
  TEST_EQUAL(ef == *e_ptr, true)
END_SECTION

START_SECTION((EmpiricalFormula(SignedSize number, const Element* element, SignedSize charge=0)))
  EmpiricalFormula ef(4, db->getElement("C"));
  TEST_EQUAL(ef == *e_ptr, true)
  TEST_EQUAL(ef.getCharge(), 0)
END_SECTION

START_SECTION(const Element* getElement(UInt atomic_number) const)
  const Element* e = db->getElement(6);
  TEST_EQUAL(e->getSymbol(), "C")
END_SECTION

START_SECTION(const Element* getElement(const String& name) const)
  const Element* e = db->getElement("C");
  TEST_EQUAL(e->getSymbol(), "C")
END_SECTION

START_SECTION(SignedSize getNumberOf(const Element* element) const)
  Size num1 = e_ptr->getNumberOf(db->getElement(6));
  TEST_EQUAL(num1, 4);