OpenMS
2.5.0
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Representation of an element. More...
#include <OpenMS/CHEMISTRY/Element.h>
Public Member Functions | |
Constructor and Destructors | |
Element () | |
default constructor More... | |
Element (const Element &element) | |
copy constructor More... | |
Element (const String &name, const String &symbol, UInt atomic_number, double average_weight, double mono_weight, const IsotopeDistribution &isotopes) | |
detailed constructor More... | |
virtual | ~Element () |
destructor More... | |
Accessors | |
void | setAtomicNumber (UInt atomic_number) |
sets unique atomic number More... | |
UInt | getAtomicNumber () const |
returns the unique atomic number More... | |
void | setAverageWeight (double weight) |
sets the average weight of the element More... | |
double | getAverageWeight () const |
returns the average weight of the element More... | |
void | setMonoWeight (double weight) |
sets the mono isotopic weight of the element More... | |
double | getMonoWeight () const |
returns the mono isotopic weight of the element More... | |
void | setIsotopeDistribution (const IsotopeDistribution &isotopes) |
sets the isotope distribution of the element More... | |
const IsotopeDistribution & | getIsotopeDistribution () const |
returns the isotope distribution of the element More... | |
void | setName (const String &name) |
set the name of the element More... | |
const String & | getName () const |
returns the name of the element More... | |
void | setSymbol (const String &symbol) |
sets symbol of the element More... | |
const String & | getSymbol () const |
returns symbol of the element More... | |
Assignment | |
Element & | operator= (const Element &element) |
assignment operator More... | |
Predicates | |
String | name_ |
name of the element More... | |
String | symbol_ |
symbol of the element More... | |
UInt | atomic_number_ |
atomic number of the element More... | |
double | average_weight_ |
average weight over all isotopes More... | |
double | mono_weight_ |
mono isotopic weight of the most frequent isotope More... | |
IsotopeDistribution | isotopes_ |
distribution of the isotopes More... | |
bool | operator== (const Element &element) const |
equality operator More... | |
bool | operator!= (const Element &element) const |
inequality operator More... | |
bool | operator< (const Element &element) const |
less operator More... | |
std::ostream & | operator<< (std::ostream &os, const Element &element) |
writes the element to an output stream More... | |
Representation of an element.
Element | ( | ) |
default constructor
Element | ( | const String & | name, |
const String & | symbol, | ||
UInt | atomic_number, | ||
double | average_weight, | ||
double | mono_weight, | ||
const IsotopeDistribution & | isotopes | ||
) |
detailed constructor
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virtual |
destructor
UInt getAtomicNumber | ( | ) | const |
returns the unique atomic number
double getAverageWeight | ( | ) | const |
returns the average weight of the element
const IsotopeDistribution& getIsotopeDistribution | ( | ) | const |
returns the isotope distribution of the element
double getMonoWeight | ( | ) | const |
returns the mono isotopic weight of the element
const String& getName | ( | ) | const |
returns the name of the element
const String& getSymbol | ( | ) | const |
returns symbol of the element
bool operator!= | ( | const Element & | element | ) | const |
inequality operator
bool operator< | ( | const Element & | element | ) | const |
less operator
bool operator== | ( | const Element & | element | ) | const |
equality operator
void setAtomicNumber | ( | UInt | atomic_number | ) |
sets unique atomic number
void setAverageWeight | ( | double | weight | ) |
sets the average weight of the element
void setIsotopeDistribution | ( | const IsotopeDistribution & | isotopes | ) |
sets the isotope distribution of the element
void setMonoWeight | ( | double | weight | ) |
sets the mono isotopic weight of the element
void setName | ( | const String & | name | ) |
set the name of the element
void setSymbol | ( | const String & | symbol | ) |
sets symbol of the element
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friend |
writes the element to an output stream
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protected |
atomic number of the element
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protected |
average weight over all isotopes
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protected |
distribution of the isotopes
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protected |
mono isotopic weight of the most frequent isotope
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protected |
name of the element
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protected |
symbol of the element