#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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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 |