TEST_EQUAL(ef.isEmpty(), true)
TEST_EQUAL(e_ptr->isEmpty(), false)
END_SECTION
START_SECTION(bool hasElement(const Element* element) const)
const Element* e = db->getElement(6);
TEST_EQUAL(e_ptr->hasElement(e), true)
e = db->getElement(1);
TEST_EQUAL(e_ptr->hasElement(e), false)
END_SECTION
START_SECTION(bool contains(const EmpiricalFormula& ef))
EmpiricalFormula metabolite("C12H36N2");
TEST_EQUAL(metabolite.contains(metabolite), true) // contains itself?
TEST_EQUAL(metabolite.contains(EmpiricalFormula("C-12H36N2")), true)
TEST_EQUAL(metabolite.contains(EmpiricalFormula("C11H36N2")), true)
TEST_EQUAL(metabolite.contains(EmpiricalFormula("N2")), true)
TEST_EQUAL(metabolite.contains(EmpiricalFormula("H36")), true)
TEST_EQUAL(metabolite.contains(EmpiricalFormula("H3")), true)
TEST_EQUAL(metabolite.contains(EmpiricalFormula("P-1")), true)
TEST_EQUAL(metabolite.contains(EmpiricalFormula()), true)
TEST_EQUAL(metabolite.contains(EmpiricalFormula("P1")), false)
// the 'adduct' test
TEST_EQUAL(metabolite.contains(EmpiricalFormula("KH-2") * -1), true) // make sure we can loose 2H (i.e. we have 2H in the metabolite); K is adducted, so is does not need to be intrinsic
TEST_EQUAL(metabolite.contains(EmpiricalFormula("K-1H2")), true) // same as above
TEST_EQUAL(metabolite.contains(EmpiricalFormula("KH-2") * 1), false) // cannot loose K, since we don't have it
END_SECTION
