C++ (Cpp) moiety示例

示例#1

文件： moietytest.cpp 项目： NabilNoaman/chemkit

void MoietyTest::size()
{
    chemkit::Molecule molecule;
    chemkit::Atom* atomH = molecule.addAtom("H");
    chemkit::Atom* atomC = molecule.addAtom("C");
    std::vector<chemkit::Atom *> moietyAtoms;
    moietyAtoms.push_back(atomH);
    moietyAtoms.push_back(atomC);
    chemkit::Moiety moiety(moietyAtoms);
    QCOMPARE(moiety.size(), size_t(2));

    QCOMPARE(chemkit::Moiety().size(), size_t(0));
}

示例#2

文件： moietytest.cpp 项目： armando-2011/chemkit

void MoietyTest::molecule()
{
    chemkit::Molecule* molecule = new chemkit::Molecule;
    chemkit::Atom* atomH = molecule->addAtom("H");
    std::vector<chemkit::Atom*> moietyAtoms;
    moietyAtoms.push_back(atomH);
    chemkit::Moiety moiety(moietyAtoms);
    QVERIFY(moiety.molecule() == molecule);

    chemkit::Moiety emptyMoiety;
    QVERIFY(emptyMoiety.molecule() == 0);

    delete molecule;
}

示例#3

文件： moietytest.cpp 项目： armando-2011/chemkit

void MoietyTest::atomCount()
{
    chemkit::Molecule* molecule = new chemkit::Molecule;
    chemkit::Atom* atomH = molecule->addAtom("H");
    chemkit::Atom* atomC = molecule->addAtom("C");
    std::vector<chemkit::Atom*> moietyAtoms;
    moietyAtoms.push_back(atomH);
    moietyAtoms.push_back(atomC);
    chemkit::Moiety moiety(moietyAtoms);
    QCOMPARE(moiety.atomCount(), 2);

    QCOMPARE(chemkit::Moiety().atomCount(),0);

    delete molecule;
}

示例#4

文件： moietytest.cpp 项目： armando-2011/chemkit

void MoietyTest::isEmpty()
{
    chemkit::Molecule* molecule = new chemkit::Molecule;
    chemkit::Atom* atomH = molecule->addAtom("H");
    chemkit::Atom* atomC = molecule->addAtom("C");
    std::vector<chemkit::Atom*> moietyAtoms;
    moietyAtoms.push_back(atomH);
    moietyAtoms.push_back(atomC);
    chemkit::Moiety moiety(moietyAtoms);
    QCOMPARE(moiety.isEmpty(), false);

    QCOMPARE(chemkit::Moiety().isEmpty(),true);

    delete molecule;
}