Representation of a (putative) link between two Features, which stem from the same compound but have different charge (including different adduct ions (H+, Na+, ..) More...
#include <OpenMS/DATASTRUCTURES/ChargePair.h>
Public Member Functions | |
virtual bool | operator== (const ChargePair &i) const |
Equality operator. More... | |
virtual bool | operator!= (const ChargePair &i) const |
Equality operator. More... | |
Constructors and destructor | |
ChargePair () | |
Default constructor. More... | |
ChargePair (const Size &index0, const Size &index1, const Int &charge0, const Int &charge1, const Compomer &compomer, const DoubleReal &mass_diff, const bool active) | |
Constructor from map index, element index and Feature. More... | |
ChargePair (const ChargePair &rhs) | |
Copy constructor. More... | |
ChargePair & | operator= (const ChargePair &rhs) |
Assignment operator. More... | |
virtual | ~ChargePair () |
Destructor. More... | |
Int | getCharge (UInt pairID) const |
Returns the charge (for element 0 or 1) More... | |
void | setCharge (UInt pairID, Int e) |
Set the charge (for element 0 or 1) More... | |
Size | getElementIndex (UInt pairID) const |
Returns the element index (for element 0 or 1) More... | |
void | setElementIndex (UInt pairID, Size e) |
Set the element index (for element 0 or 1) More... | |
const Compomer & | getCompomer () const |
Returns the Id of the compomer that explains the mass difference. More... | |
void | setCompomer (const Compomer &compomer) |
Set the compomer id. More... | |
DoubleReal | getMassDiff () const |
Returns the mass difference. More... | |
void | setMassDiff (DoubleReal mass_diff) |
Sets the mass difference. More... | |
DoubleReal | getEdgeScore () const |
Returns the ILP edge score. More... | |
void | setEdgeScore (DoubleReal score) |
Sets the ILP edge score. More... | |
bool | isActive () const |
is this pair realized? More... | |
void | setActive (const bool active) |
Protected Attributes | |
Size | feature0_index_ |
Int of the first element within the FeatureMap. More... | |
Size | feature1_index_ |
Int of the second element within the FeatureMap. More... | |
Int | feature0_charge_ |
Assumed charge of the first feature. More... | |
Int | feature1_charge_ |
Assumed charge of the second feature. More... | |
Compomer | compomer_ |
Compomer that explains the mass difference. More... | |
DoubleReal | mass_diff_ |
mass difference (after explanation by compomer) More... | |
DoubleReal | score_ |
Score of this edge used in ILP. More... | |
bool | is_active_ |
was this pair realized by ILP? More... | |
Representation of a (putative) link between two Features, which stem from the same compound but have different charge (including different adduct ions (H+, Na+, ..)
A ChargePair represents an edge between two Features and specifies their respective charge and adducts, so that when decharged they can be explained as stemming from the same compound.
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Default constructor.
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Constructor from map index, element index and Feature.
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Copy constructor.
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Destructor.
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Returns the Id of the compomer that explains the mass difference.
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Returns the ILP edge score.
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Returns the mass difference.
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is this pair realized?
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Equality operator.
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Assignment operator.
References ChargePair::compomer_, ChargePair::feature0_charge_, ChargePair::feature0_index_, ChargePair::feature1_charge_, ChargePair::feature1_index_, ChargePair::is_active_, ChargePair::mass_diff_, and ChargePair::score_.
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Equality operator.
References ChargePair::compomer_, ChargePair::feature0_charge_, ChargePair::feature0_index_, ChargePair::feature1_charge_, ChargePair::feature1_index_, ChargePair::is_active_, and ChargePair::mass_diff_.
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Set the compomer id.
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Sets the ILP edge score.
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Sets the mass difference.
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Compomer that explains the mass difference.
Referenced by ChargePair::operator=(), and ChargePair::operator==().
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Assumed charge of the first feature.
Referenced by ChargePair::operator=(), and ChargePair::operator==().
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Int of the first element within the FeatureMap.
Referenced by ChargePair::operator=(), and ChargePair::operator==().
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Assumed charge of the second feature.
Referenced by ChargePair::operator=(), and ChargePair::operator==().
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Int of the second element within the FeatureMap.
Referenced by ChargePair::operator=(), and ChargePair::operator==().
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was this pair realized by ILP?
Referenced by ChargePair::operator=(), and ChargePair::operator==().
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mass difference (after explanation by compomer)
Referenced by ChargePair::operator=(), and ChargePair::operator==().
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Score of this edge used in ILP.
Referenced by ChargePair::operator=().
OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:28 using doxygen 1.8.5 |