#include <OpenMS/DATASTRUCTURES/Adduct.h>
| Public Types | |
| typedef std::vector< Adduct > | AdductsType | 
| Public Member Functions | |
| Adduct () | |
| Default C'tor.  More... | |
| Adduct (Int charge) | |
| C'tor with initial charge.  More... | |
| Adduct (Int charge, Int amount, DoubleReal singleMass, String formula, DoubleReal log_prob, DoubleReal rt_shift, const String label="") | |
| C'tor for all members.  More... | |
| Adduct | operator* (const Int m) const | 
| Increase amount of this adduct by factor.  More... | |
| Adduct | operator+ (const Adduct &rhs) | 
| Add two adducts amount if they are equal (defined by equal formula)  More... | |
| void | operator+= (const Adduct &rhs) | 
| Add other adducts amount to *this (equal formula required!)  More... | |
| Friends | |
| std::ostream & | operator<< (std::ostream &os, const Adduct &a) | 
| Print the contents of an Adduct to a stream.  More... | |
| bool | operator== (const Adduct &a, const Adduct &b) | 
| Comparator.  More... | |
| Int | charge_ | 
| Int | amount_ | 
| DoubleReal | singleMass_ | 
| DoubleReal | log_prob_ | 
| String | formula_ | 
| DoubleReal | rt_shift_ | 
| String | label_ | 
| const Int & | getCharge () const | 
| void | setCharge (const Int &charge) | 
| const Int & | getAmount () const | 
| void | setAmount (const Int &amount) | 
| const DoubleReal & | getSingleMass () const | 
| void | setSingleMass (const DoubleReal &singleMass) | 
| const DoubleReal & | getLogProb () const | 
| void | setLogProb (const DoubleReal &log_prob) | 
| const String & | getFormula () const | 
| void | setFormula (const String &formula) | 
| const DoubleReal & | getRTShift () const | 
| const String & | getLabel () const | 
| String | checkFormula_ (const String &formula) | 
| typedef std::vector<Adduct> AdductsType | 
| Adduct | ( | ) | 
Default C'tor.
| Adduct | ( | Int | charge, | 
| Int | amount, | ||
| DoubleReal | singleMass, | ||
| String | formula, | ||
| DoubleReal | log_prob, | ||
| DoubleReal | rt_shift, | ||
| const String | label = "" | ||
| ) | 
C'tor for all members.
| const Int& getAmount | ( | ) | const | 
| const Int& getCharge | ( | ) | const | 
| const String& getFormula | ( | ) | const | 
| const String& getLabel | ( | ) | const | 
| const DoubleReal& getLogProb | ( | ) | const | 
| const DoubleReal& getRTShift | ( | ) | const | 
| const DoubleReal& getSingleMass | ( | ) | const | 
Add two adducts amount if they are equal (defined by equal formula)
| void operator+= | ( | const Adduct & | rhs | ) | 
Add other adducts amount to *this (equal formula required!)
| void setAmount | ( | const Int & | amount | ) | 
| void setCharge | ( | const Int & | charge | ) | 
| void setFormula | ( | const String & | formula | ) | 
| void setLogProb | ( | const DoubleReal & | log_prob | ) | 
| void setSingleMass | ( | const DoubleReal & | singleMass | ) | 
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 | friend | 
Print the contents of an Adduct to a stream.
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| OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:28 using doxygen 1.8.5 |