CleaveRule Class

Member Function Documentation

CleaveRule::CleaveRule(PolChemDefCstSPtr pol_chem_def_csp, QString name, QString leftCode = QString(), QString leftFormula = QString(), QString rightCode = QString(), QString rightFormula = QString())

Constructs a CleaveRule instance

• pol_chem_def_csp: Polymer chemistry definition. Cannot be nullptr.
• name: the name.
• leftCode: The Monomer code at the left of the cleavage site.
• leftFormula: .The Formula to be applied onto the left monomer code.
• rightCode: .The Monomer code at the right of the cleavage site.
• rightFormula: .The Formula to be applied onto the right monomer code.

CleaveRule::CleaveRule(const CleaveRule &other)

Constructs a CleaveRule instance as a copy of other.

[virtual noexcept] CleaveRule::~CleaveRule()

Destructs this CleaveRule instance

QString *CleaveRule::formatXmlClrElement(int offset, const QString &indent = QString(" "))

Formats a string representing this CleaveRule instance suitable to use as an XML element.

The typical cleavage rule element that is generated in this function looks like this:

<clr>
<re-mnm-code>M</re-mnm-code>
<re-formula>-CH2S+O</re-formula>
</clr>

The formatting of the XML element takes into account offset and indent by prepending the string with offset * indent character substring.

indent defaults to two spaces.

Returns a dynamically allocated string that needs to be freed after use.

[static] int CleaveRule::isNameInList(const QString &name, const QList<CleaveRule *> &cleave_rule_list, CleaveRule *other = nullptr)

Searches for a CleaveRule instance by name in cleave_rule_list.

If the instance is found, and other is non-nullptr, it is copied to other.

Returns the index of the found CleaveRule instance in cleave_rule_list or -1 is the cleavage rule was not found.

const QString &CleaveRule::leftCode()

Returns the left code.

See also setLeftCode().

const Formula &CleaveRule::leftFormula()

Returns the left formula.

See also setLeftFormula().

bool CleaveRule::renderXmlClrElement(const QDomElement &element, int version)

Parses the CleaveRule XML element using a versioned function.

Upon parsing of the element, its data are validated and set to this CleaveRule instance, thus essentially initializing it.

Returns true if parsing and validation were successful, false otherwise.

const QString &CleaveRule::rightCode()

Returns the right code.

See also setRightCode().

const Formula &CleaveRule::rightFormula()

Returns the right formula.

See also setRightFormula().

void CleaveRule::setLeftCode(const QString &code)

Sets the left code.

See also leftCode().

void CleaveRule::setLeftFormula(const Formula &formula)

Sets the left formula.

See also leftFormula().

void CleaveRule::setRightCode(const QString &code)

Sets the right code.

See also rightCode().

void CleaveRule::setRightFormula(const Formula &formula)

Sets the right formula.

See also rightFormula().

bool CleaveRule::validate()

Validates this CleaveRule instance.

Validation entails the following:

• If the left monomer code is not empty, it must be known to the polymer chemistry definition. In that case, if the left formula is not empty, it needs to validate successfully.
• The same logic is applied to the monomer at the right hand side of the cleavage site.

Returns true if the validation is successful, false otherwise.

CleaveRule &CleaveRule::operator=(const CleaveRule &other)

Assigns to other to this CleaveRule instance.

Returns a reference to this CleaveRule instance.