Compomer#

class pyopenms.Compomer(*args, **kwargs)#

Bases: object

Holds information on an edge connecting two features from a (putative) charge ladder

__init__(self) → None#
__init__(self, net_charge: int, mass: float, log_p: float) → None
__init__(self, arg: pyopenms._pyopenms_datastructures.Compomer, /) → None

Attributes

`add`
`getAdductsAsString`
`getID`
`getLabels`	Returns the labels for the given side
`getLogP`
`getMass`
`getNegativeCharges`
`getNetCharge`
`getPositiveCharges`
`getRTShift`
`isConflicting`	Returns true if the compomers are conflicting
`isSingleAdduct`	Returns true if the compomer has a single adduct on the given side
`removeAdduct`	Overloaded function.
`setID`

isSingleAdduct#: Returns true if the compomer has a single adduct on the given side

removeAdduct#

Overloaded function.

removeAdduct(self, a: pyopenms._pyopenms_datastructures.Adduct) -> pyopenms._pyopenms_datastructures.Compomer

Returns a new compomer without the given adduct

removeAdduct(self, a: pyopenms._pyopenms_datastructures.Adduct, side: int) -> pyopenms._pyopenms_datastructures.Compomer

Returns a new compomer without the given adduct on the given side