begin() const | EmpiricalFormula | inline |
charge_ | EmpiricalFormula | protected |
const_iterator typedef | EmpiricalFormula | |
ConstIterator typedef | EmpiricalFormula | |
contains(const EmpiricalFormula &ef) | EmpiricalFormula | |
EmpiricalFormula() | EmpiricalFormula | |
EmpiricalFormula(const EmpiricalFormula &rhs) | EmpiricalFormula | |
EmpiricalFormula(const String &rhs) | EmpiricalFormula | explicit |
EmpiricalFormula(SignedSize number, const Element *element, SignedSize charge=0) | EmpiricalFormula | |
end() const | EmpiricalFormula | inline |
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_ | EmpiricalFormula | protected |
getAverageWeight() const | EmpiricalFormula | |
getCharge() const | EmpiricalFormula | |
getConditionalFragmentIsotopeDist(const EmpiricalFormula &precursor, const std::set< UInt > &precursor_isotopes) const | EmpiricalFormula | |
getIsotopeDistribution(UInt max_depth) const | EmpiricalFormula | |
getMonoWeight() const | EmpiricalFormula | |
getNumberOf(const Element *element) const | EmpiricalFormula | |
getNumberOfAtoms() const | EmpiricalFormula | |
hasElement(const Element *element) const | EmpiricalFormula | |
isCharged() const | EmpiricalFormula | |
isEmpty() const | EmpiricalFormula | |
MapType_ typedef | EmpiricalFormula | protected |
operator!=(const EmpiricalFormula &rhs) const | EmpiricalFormula | |
operator*(const SignedSize ×) const | EmpiricalFormula | |
operator+(const EmpiricalFormula &rhs) const | EmpiricalFormula | |
operator+=(const EmpiricalFormula &rhs) | EmpiricalFormula | |
operator-(const EmpiricalFormula &rhs) const | EmpiricalFormula | |
operator-=(const EmpiricalFormula &rhs) | EmpiricalFormula | |
operator<<(std::ostream &os, const EmpiricalFormula &formula) | EmpiricalFormula | friend |
operator=(const EmpiricalFormula &rhs) | EmpiricalFormula | |
operator==(const EmpiricalFormula &rhs) const | EmpiricalFormula | |
parseFormula_(std::map< const Element *, SignedSize > &ef, const String &formula) const | EmpiricalFormula | protected |
removeZeroedElements_() | EmpiricalFormula | protected |
setCharge(SignedSize charge) | EmpiricalFormula | |
toString() const | EmpiricalFormula | |
~EmpiricalFormula() | EmpiricalFormula | virtual |