36 #ifndef OPENMS_CHEMISTRY_ELEMENT_H 37 #define OPENMS_CHEMISTRY_ELEMENT_H 43 #define OPENMS_CHEMISTRY_ELEMENT_NAME_DEFAULT "unknown" 44 #define OPENMS_CHEMISTRY_ELEMENT_SYMBOL_DEFAULT "??" 45 #define OPENMS_CHEMISTRY_ELEMENT_WEIGHT_DEFAULT 0.0 46 #define OPENMS_CHEMISTRY_ELEMENT_ATOMICNUMBER_DEFAULT 0 71 double average_weight,
82 void setAtomicNumber(
UInt atomic_number);
86 UInt getAtomicNumber()
const;
89 void setAverageWeight(
double weight);
92 double getAverageWeight()
const;
95 void setMonoWeight(
double weight);
98 double getMonoWeight()
const;
107 void setName(
const String & name);
110 const String & getName()
const;
113 void setSymbol(
const String & symbol);
116 const String & getSymbol()
const;
137 friend OPENMS_DLLAPI std::ostream &
operator<<(std::ostream & os,
const Element & element);
IsotopeDistribution isotopes_
distribution of the isotopes
Definition: Element.h:157
UInt atomic_number_
atomic number of the element
Definition: Element.h:148
A more convenient string class.
Definition: String.h:57
unsigned int UInt
Unsigned integer type.
Definition: Types.h:95
Isotope distribution class.
Definition: IsotopeDistribution.h:62
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
double average_weight_
average weight over all isotopes
Definition: Element.h:151
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
Representation of an element.
Definition: Element.h:54
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
double mono_weight_
mono isotopic weight of the most frequent isotope
Definition: Element.h:154
String symbol_
symbol of the element
Definition: Element.h:145
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
String name_
name of the element
Definition: Element.h:142