35 #ifndef OPENMS_CHEMISTRY_EMPIRICALFORMULA_H
36 #define OPENMS_CHEMISTRY_EMPIRICALFORMULA_H
132 const Element * getElement(
UInt atomic_number)
const;
138 Size getNumberOf(
UInt atomic_number)
const;
147 Size getNumberOfAtoms()
const;
214 bool isEmpty()
const;
218 bool isCharged()
const;
221 bool hasElement(
const Element * element)
const;
224 bool hasElement(
const String & name)
const;
227 bool hasElement(
UInt atomic_number)
const;
236 bool operator==(
const String & rhs)
const;
245 bool operator!=(
const String & rhs)
const;
262 void removeZeroedElements_();
268 void readElementsFromFile_(
const String & file_name);
A more convenient string class.
Definition: String.h:56
Isotope distribution class.
Definition: IsotopeDistribution.h:61
std::ostream & operator<<(std::ostream &os, const ItraqQuantifier::ItraqQuantifierStats &stats)
ptrdiff_t SignedSize
Signed Size type e.g. used as pointer difference.
Definition: Types.h:151
Representation of an element.
Definition: Element.h:54
DPosition< D, TCoordinateType > operator*(DPosition< D, TCoordinateType > position, typename DPosition< D, TCoordinateType >::CoordinateType scalar)
Scalar multiplication (a bit inefficient)
Definition: DPosition.h:415
Base::const_iterator ConstIterator
Definition: Map.h:81
Stores elements.
Definition: ElementDB.h:70
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:144
Map class based on the STL map (containing serveral convenience functions)
Definition: Map.h:50