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EmpiricalFormula Member List

This is the complete list of members for EmpiricalFormula, including all inherited members.

begin() constEmpiricalFormulainline
begin()EmpiricalFormulainline
calculateTheoreticalIsotopesNumber() constEmpiricalFormula
charge_EmpiricalFormulaprotected
const_iterator typedefEmpiricalFormula
ConstIterator typedefEmpiricalFormula
contains(const EmpiricalFormula &ef) constEmpiricalFormula
EmpiricalFormula()EmpiricalFormula
EmpiricalFormula(const EmpiricalFormula &)=defaultEmpiricalFormula
EmpiricalFormula(EmpiricalFormula &&)=defaultEmpiricalFormula
EmpiricalFormula(const String &rhs)EmpiricalFormulaexplicit
EmpiricalFormula(SignedSize number, const Element *element, SignedSize charge=0)EmpiricalFormula
end() constEmpiricalFormulainline
end()EmpiricalFormulainline
estimateFromMonoWeightAndComp(double mono_weight, double C, double H, double N, double O, double S, double P)EmpiricalFormula
estimateFromWeightAndComp(double average_weight, double C, double H, double N, double O, double S, double P)EmpiricalFormula
estimateFromWeightAndCompAndS(double average_weight, UInt S, double C, double H, double N, double O, double P)EmpiricalFormula
formula_EmpiricalFormulaprotected
fromString(const String &rhs)EmpiricalFormulainlinestatic
getAverageWeight() constEmpiricalFormula
getCharge() constEmpiricalFormula
getConditionalFragmentIsotopeDist(const EmpiricalFormula &precursor, const std::set< UInt > &precursor_isotopes, const CoarseIsotopePatternGenerator &method) constEmpiricalFormula
getIsotopeDistribution(const IsotopePatternGenerator &method) constEmpiricalFormula
getLightestIsotopeWeight() constEmpiricalFormula
getMonoWeight() constEmpiricalFormula
getNumberOf(const Element *element) constEmpiricalFormula
getNumberOfAtoms() constEmpiricalFormula
hasElement(const Element *element) constEmpiricalFormula
hydrogen(int n_atoms=1)EmpiricalFormulastatic
isCharged() constEmpiricalFormula
isEmpty() constEmpiricalFormula
iterator typedefEmpiricalFormula
Iterator typedefEmpiricalFormula
MapType_ typedefEmpiricalFormulaprotected
operator!=(const EmpiricalFormula &rhs) constEmpiricalFormula
operator*(const SignedSize &times) constEmpiricalFormula
operator+(const EmpiricalFormula &rhs) constEmpiricalFormula
operator+=(const EmpiricalFormula &rhs)EmpiricalFormula
operator-(const EmpiricalFormula &rhs) constEmpiricalFormula
operator-=(const EmpiricalFormula &rhs)EmpiricalFormula
operator<(const EmpiricalFormula &rhs) constEmpiricalFormula
operator<<(std::ostream &os, const EmpiricalFormula &formula)EmpiricalFormulafriend
operator=(const EmpiricalFormula &)=defaultEmpiricalFormula
operator=(EmpiricalFormula &&) &=defaultEmpiricalFormula
operator==(const EmpiricalFormula &rhs) constEmpiricalFormula
parseFormula_(std::map< const Element *, SignedSize > &ef, const String &formula) constEmpiricalFormulaprotected
removeZeroedElements_()EmpiricalFormulaprotected
setCharge(Int charge)EmpiricalFormula
toMap() constEmpiricalFormula
toString() constEmpiricalFormula
water(int n_molecules=1)EmpiricalFormulastatic
~EmpiricalFormula()EmpiricalFormulavirtual