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
82 void setAtomicNumber(
UInt atomic_number);
86 UInt getAtomicNumber()
const;
107 void setName(
const String & name);
110 const String & getName()
const;
113 void setSymbol(
const String & symbol);
116 const String & getSymbol()
const;
129 bool operator==(
const Element & element)
const;
133 bool operator!=(
const Element & element)
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:56
DoubleReal average_weight_
average weight over all isotopes
Definition: Element.h:151
Isotope distribution class.
Definition: IsotopeDistribution.h:61
std::ostream & operator<<(std::ostream &os, const ItraqQuantifier::ItraqQuantifierStats &stats)
DoubleReal mono_weight_
mono isotopic weight of the most frequent isotope
Definition: Element.h:154
Representation of an element.
Definition: Element.h:54
String symbol_
symbol of the element
Definition: Element.h:145
String name_
name of the element
Definition: Element.h:142