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