QTCluster

class pyopenms.QTCluster

Bases: object

Cython implementation of _QTCluster

Methods

`__init__`	Cython signature: void QTCluster(QTCluster &)
`finalizeCluster`	Cython signature: void finalizeCluster() Has to be called after adding elements (after calling
`getAnnotations`	Cython signature: libcpp_set[AASequence] getAnnotations() Returns the set of peptide sequences annotated to the cluster center
`getCenterMZ`	Cython signature: double getCenterMZ() Returns the m/z value of the cluster center
`getCenterRT`	Cython signature: double getCenterRT() Returns the RT value of the cluster
`getQuality`	Cython signature: double getQuality() Returns the cluster quality and recomputes if necessary
`getXCoord`	Cython signature: int getXCoord() Returns the x coordinate in the grid
`getYCoord`	Cython signature: int getYCoord() Returns the y coordinate in the grid
`initializeCluster`	Cython signature: void initializeCluster() Has to be called before adding elements (calling
`isInvalid`	Cython signature: bool isInvalid() Whether current cluster is invalid
`setInvalid`	Cython signature: void setInvalid() Sets current cluster as invalid (also frees some memory)
`size`	Cython signature: size_t size() Returns the size of the cluster (number of elements, incl.

finalizeCluster(): Cython signature: void finalizeCluster() Has to be called after adding elements (after calling

getAnnotations(): Cython signature: libcpp_set[AASequence] getAnnotations() Returns the set of peptide sequences annotated to the cluster center

getCenterMZ(): Cython signature: double getCenterMZ() Returns the m/z value of the cluster center

getCenterRT(): Cython signature: double getCenterRT() Returns the RT value of the cluster

getQuality(): Cython signature: double getQuality() Returns the cluster quality and recomputes if necessary

getXCoord(): Cython signature: int getXCoord() Returns the x coordinate in the grid

getYCoord(): Cython signature: int getYCoord() Returns the y coordinate in the grid

initializeCluster(): Cython signature: void initializeCluster() Has to be called before adding elements (calling

isInvalid(): Cython signature: bool isInvalid() Whether current cluster is invalid

setInvalid(): Cython signature: void setInvalid() Sets current cluster as invalid (also frees some memory)

size(): Cython signature: size_t size() Returns the size of the cluster (number of elements, incl. center)