IsotopeWavelet

class pyopenms.IsotopeWavelet

Bases: object

Cython implementation of _IsotopeWavelet

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1IsotopeWavelet.html

__init__()

Methods

__init__()
destroy	Cython signature: void destroy() Deletes the singleton instance
getExpTableMaxIndex	Cython signature: size_t getExpTableMaxIndex() Returns the largest possible index for the pre-sampled exp table
getGammaTableMaxIndex	Cython signature: size_t getGammaTableMaxIndex() Returns the largest possible index for the pre-sampled gamma table
getInvTableSteps	Cython signature: double getInvTableSteps() Returns the inv_table_steps_ parameter
getLambdaL	Cython signature: double getLambdaL(double m) Returns the mass-parameter lambda (linear fit)
getMaxCharge	Cython signature: unsigned int getMaxCharge() Returns the largest charge state we will consider
getMzPeakCutOffAtMonoPos	Cython signature: unsigned int getMzPeakCutOffAtMonoPos(double mass, unsigned int z)
getNumPeakCutOff	Cython signature: unsigned int getNumPeakCutOff(double mass, unsigned int z)
getTableSteps	Cython signature: double getTableSteps() Returns the table_steps_ parameter
getValueByLambda	Cython signature: double getValueByLambda(double lambda_, double tz1)
getValueByLambdaExact	Cython signature: double getValueByLambdaExact(double lambda_, double tz1)
getValueByLambdaExtrapol	Cython signature: double getValueByLambdaExtrapol(double lambda_, double tz1)
getValueByMass	Cython signature: double getValueByMass(double t, double m, unsigned int z, int mode)
myPow	Cython signature: float myPow(float a, float b) Internally used function; uses register shifts for fast computation of the power function
setMaxCharge	Cython signature: void setMaxCharge(unsigned int max_charge) Sets the max_charge parameter
setTableSteps	Cython signature: void setTableSteps(double table_steps) Sets the table_steps parameter

destroy()

Cython signature: void destroy() Deletes the singleton instance

getExpTableMaxIndex()

Cython signature: size_t getExpTableMaxIndex() Returns the largest possible index for the pre-sampled exp table

getGammaTableMaxIndex()

Cython signature: size_t getGammaTableMaxIndex() Returns the largest possible index for the pre-sampled gamma table

getInvTableSteps()

Cython signature: double getInvTableSteps() Returns the inv_table_steps_ parameter

getLambdaL()

Cython signature: double getLambdaL(double m) Returns the mass-parameter lambda (linear fit)

getMaxCharge()

Cython signature: unsigned int getMaxCharge() Returns the largest charge state we will consider

getMzPeakCutOffAtMonoPos()

Cython signature: unsigned int getMzPeakCutOffAtMonoPos(double mass, unsigned int z)

getNumPeakCutOff()

• Cython signature: unsigned int getNumPeakCutOff(double mass, unsigned int z)

• Cython signature: unsigned int getNumPeakCutOff(double mz)

getTableSteps()

Cython signature: double getTableSteps() Returns the table_steps_ parameter

getValueByLambda()

Cython signature: double getValueByLambda(double lambda_, double tz1)

Usually, you do not need to call this function Please use sampleTheWavelet instead Note that this functions returns the pure function value of psi and not the normalized (average=0) value given by Psi —– :param lambda: The mass-parameter lambda :param tz1: t (the position) times the charge (z) plus 1

getValueByLambdaExact()

Cython signature: double getValueByLambdaExact(double lambda_, double tz1)

getValueByLambdaExtrapol()

Cython signature: double getValueByLambdaExtrapol(double lambda_, double tz1)

This function is usually significantly slower than the table lookup performed in @see getValueByLambda Nevertheless, it might be necessary to call this function due to extrapolating reasons caused by the alignment of the wavelet —– Usually, you do not need to call this function Please use sampleTheWavelet instead Note that this functions returns the pure function value of psi and not the normalized (average=0) value given by Psi —– :param lambda: The mass-parameter lambda :param tz1: t (the position) times the charge (z) plus 1

getValueByMass()

Cython signature: double getValueByMass(double t, double m, unsigned int z, int mode)

Note that this functions returns the pure function value of psi and not the normalized (average=0) value given by Psi —– :param t: The position at which the wavelet has to be drawn (within the coordinate system of the wavelet) :param m: The m/z position within the signal (i.e. the mass not de-charged) within the signal :param z: The charge z we want to detect :param mode: Indicates whether positive mode (+1) or negative mode (-1) has been used for ionization

myPow()

Cython signature: float myPow(float a, float b) Internally used function; uses register shifts for fast computation of the power function

setMaxCharge()

Cython signature: void setMaxCharge(unsigned int max_charge) Sets the max_charge parameter

setTableSteps()

Cython signature: void setTableSteps(double table_steps) Sets the table_steps parameter