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, DoubleReal average_weight, DoubleReal 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 (DoubleReal weight) |
| sets the average weight of the element More... | |
| DoubleReal | getAverageWeight () const |
| returns the average weight of the element More... | |
| void | setMonoWeight (DoubleReal weight) |
| sets the mono isotopic weight of the element More... | |
| DoubleReal | 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 | |
| bool | operator== (const Element &element) const |
| equality operator More... | |
| bool | operator!= (const Element &element) const |
| inequality operator More... | |
Protected Attributes | |
| String | name_ |
| name of the element More... | |
| String | symbol_ |
| symbol of the element More... | |
| UInt | atomic_number_ |
| atomic number of the element More... | |
| DoubleReal | average_weight_ |
| average weight over all isotopes More... | |
| DoubleReal | mono_weight_ |
| mono isotopic weight of the most frequent isotope More... | |
| IsotopeDistribution | isotopes_ |
| distribution of the isotopes More... | |
Friends | |
| 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, | ||
| DoubleReal | average_weight, | ||
| DoubleReal | mono_weight, | ||
| const IsotopeDistribution & | isotopes | ||
| ) |
detailed constructor
|
virtual |
destructor
| UInt getAtomicNumber | ( | ) | const |
returns the unique atomic number
| DoubleReal getAverageWeight | ( | ) | const |
returns the average weight of the element
| const IsotopeDistribution& getIsotopeDistribution | ( | ) | const |
returns the isotope distribution of the element
| DoubleReal 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 |
equality operator
| void setAtomicNumber | ( | UInt | atomic_number | ) |
sets unique atomic number
| void setAverageWeight | ( | DoubleReal | weight | ) |
sets the average weight of the element
| void setIsotopeDistribution | ( | const IsotopeDistribution & | isotopes | ) |
sets the isotope distribution of the element
Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::run().
| void setMonoWeight | ( | DoubleReal | 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
|
friend |
writes the element to an output stream
|
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
| OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:27 using doxygen 1.8.5 |