35 #ifndef OPENMS_CHEMISTRY_ISOTOPEDISTRIBUTION_H
36 #define OPENMS_CHEMISTRY_ISOTOPEDISTRIBUTION_H
100 void setMaxIsotope(
Size max_isotope);
103 Size getMaxIsotope()
const;
129 void estimateFromPeptideWeight(
double average_weight);
197 void convolve_(ContainerType & result,
const ContainerType & left,
const ContainerType & right)
const;
200 void convolvePow_(ContainerType & result,
const ContainerType & input,
Size factor)
const;
203 void convolveSquare_(ContainerType & result,
const ContainerType & input)
const;
214 #endif // OPENMS_CHEMISTRY_ISOTOPEDISTRIBUTION_H
ConstIterator end() const
Definition: IsotopeDistribution.h:191
ConstIterator begin() const
Definition: IsotopeDistribution.h:189
ContainerType::iterator Iterator
Definition: IsotopeDistribution.h:70
Iterator end()
Definition: IsotopeDistribution.h:187
Isotope distribution class.
Definition: IsotopeDistribution.h:61
ContainerType::iterator iterator
Definition: IsotopeDistribution.h:69
Size max_isotope_
maximal isotopes which is used to calculate the distribution
Definition: IsotopeDistribution.h:206
Iterator begin()
Definition: IsotopeDistribution.h:185
DPosition< D, TCoordinateType > operator*(DPosition< D, TCoordinateType > position, typename DPosition< D, TCoordinateType >::CoordinateType scalar)
Scalar multiplication (a bit inefficient)
Definition: DPosition.h:415
ContainerType::const_iterator const_iterator
Definition: IsotopeDistribution.h:71
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:144
ContainerType distribution_
stores the isotope distribution
Definition: IsotopeDistribution.h:209
std::vector< std::pair< Size, double > > ContainerType
container type, first holds the weight of the isotope, second the probability
Definition: IsotopeDistribution.h:68
ContainerType::const_iterator ConstIterator
Definition: IsotopeDistribution.h:72