OligomerCollection Class

Member Function Documentation

OligomerCollection::OligomerCollection(const QString &name = QString(), MsXpS::libXpertMassCore::PolymerCstQSPtr polymer_cqsp = nullptr, MsXpS::libXpertMassCore::Enums::MassType mass_type = Enums::MassType::BOTH)

Constructs an OligomerCollection instance with a number of parameters.

• name The name of the OligomerCollection
• polymer_cqsp The Polymer about which this OligomerCollection is about
• mass_type The type of mass that is dealt with in a number of calculations

OligomerCollection::OligomerCollection(const MsXpS::libXpertMassCore::OligomerCollection &other)

Constructs an OligomerCollection instance as a copy of other.

The Oligomer instances in the member container are instantiated anew (deep copy).

[virtual noexcept] OligomerCollection::~OligomerCollection()

Destructs the OligomerCollection.

QString OligomerCollection::allOligomerMassesToString(MsXpS::libXpertMassCore::Enums::MassType mass_type)

Returns a string in which all the Oligomer instances present in the member container are represented as text.

The masses of the Oligomer instances are reported for the mass_type. If mass_type is Enums::MassType::BOTH, the the member mass type is used.

[static] bool OligomerCollection::avgMassCompare(const MsXpS::libXpertMassCore::OligomerSPtr o1_sp, const MsXpS::libXpertMassCore::OligomerSPtr o2_sp)

Returns true if the average mass of o1_sp is smaller than that of o2_sp, else returns false.

void OligomerCollection::clear()

Clears the member Oligomer container.

MsXpS::libXpertMassCore::OligomerSPtr OligomerCollection::findOligomerEncompassing(MsXpS::libXpertMassCore::MonomerCstSPtr monomer_csp, std::size_t &oligomer_index)

Returns the Oligomer instance that encompasses Monomer monomer_csp.

This function starts searching for Oligomer instances in the member Oligomer container at oligomer_index.

If oligomer_index is out of bounds, nullptr is returned.

When an Oligomer is found, its index in the member Oligomer container is set to oligomer_index and its pointer is returned.

If no Oligomer is found, returns nullptr;

MsXpS::libXpertMassCore::OligomerSPtr OligomerCollection::findOligomerEncompassing(MsXpS::libXpertMassCore::MonomerSPtr monomer_sp, std::size_t &oligomer_index)

Returns the Oligomer instance that encompasses Monomer monomer_sp.

This function starts searching for Oligomer instances in the member Oligomer container at oligomer_index.

If oligomer_index is out of bounds, nullptr is returned.

When an Oligomer is found, its index in the member Oligomer container is set to oligomer_index and its pointer is returned.

If no Oligomer is found, returns nullptr;

MsXpS::libXpertMassCore::OligomerSPtr OligomerCollection::findOligomerEncompassing(std::size_t monomer_index, std::size_t &oligomer_index)

Returns the Oligomer instance that encompasses a Monomer at monomer_index.

This function starts searching for Oligomer instances in the member Oligomer container at oligomer_index.

If oligomer_index is out of bounds, nullptr is returned.

When an Oligomer is found, its index in the member Oligomer container is set to oligomer_index and its pointer is returned.

If no Oligomer is found, returns nullptr;

const QString &OligomerCollection::getComment() const

Returns the comment.

MsXpS::libXpertMassCore::Enums::MassType OligomerCollection::getMassType() const

Returns the type of mass to be dealt with by default.

const QString &OligomerCollection::getName() const

Returns the name.

const std::vector<MsXpS::libXpertMassCore::OligomerSPtr> &OligomerCollection::getOligomersCstRef() const

Returns a const reference to the Oligomer container.

std::vector<MsXpS::libXpertMassCore::OligomerSPtr> &OligomerCollection::getOligomersRef()

Returns a reference to the Oligomer container.

const MsXpS::libXpertMassCore::PolymerCstQSPtr OligomerCollection::getPolymer() const

Returns the polymer.

[static] bool OligomerCollection::monoMassCompare(const MsXpS::libXpertMassCore::OligomerSPtr o1_sp, const MsXpS::libXpertMassCore::OligomerSPtr o2_sp)

Returns true if the monoisotopic mass of o1_sp is smaller than that of o2_sp, else returns false.

void OligomerCollection::setComment(const QString &comment)

Sets the comment.

void OligomerCollection::setMassType(MsXpS::libXpertMassCore::Enums::MassType mass_type)

Sets the type of mass mass_type to be dealt with by default.

void OligomerCollection::setName(const QString &name)

Sets the name.

void OligomerCollection::setPolymer(MsXpS::libXpertMassCore::PolymerCstQSPtr polymer_cqsp)

Sets the the polymer to polymer_cqsp.

std::size_t OligomerCollection::size() const

Returns the size of this OligomerCollection as the count of Oligomer instances in the member container.

void OligomerCollection::sortAscending()

Sorts the Oligomer instances in the member container according to ascending masses of the default member Enums::MassType.

QString OligomerCollection::toString() const

Returns a text string representing this OligomerCollection's Oligomer instances.

See also Oligomer::toString.

bool OligomerCollection::operator!=(const MsXpS::libXpertMassCore::OligomerCollection &other) const

Returns true if this OligomerCollection instance and other differ, false otherwise.

Returns the negated value returned from operator==().

MsXpS::libXpertMassCore::OligomerCollection &OligomerCollection::operator=(const MsXpS::libXpertMassCore::OligomerCollection &other)

Assigns other to this instance.

bool OligomerCollection::operator==(const MsXpS::libXpertMassCore::OligomerCollection &other) const

Returns true if this OligomerCollection instance and other are identical, false otherwise.