AbsoluteQuantitation#

class pyopenms.AbsoluteQuantitation#

Bases: object

Cython implementation of _AbsoluteQuantitation

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1AbsoluteQuantitation.html: – Inherits from [‘DefaultParamHandler’]

__init__()#

Cython signature: void AbsoluteQuantitation()
Cython signature: void AbsoluteQuantitation(AbsoluteQuantitation &)

Methods

`__init__`	Cython signature: void AbsoluteQuantitation()
`applyCalibration`	Cython signature: double applyCalibration(const Feature & component, const Feature & IS_component, const String & feature_name, const String & transformation_model, const Param & transformation_model_params)
`calculateBias`	Cython signature: double calculateBias(double actual_concentration, double calculated_concentration) This function calculates the bias of the calibration
`calculateBiasAndR`	Cython signature: void calculateBiasAndR(libcpp_vector[AQS_featureConcentration] & component_concentrations, const String & feature_name, const String & transformation_model, Param & transformation_model_params, libcpp_vector[double] & biases, double & correlation_coefficient)
`calculateRatio`	Cython signature: double calculateRatio(Feature & component_1, Feature & component_2, const String & feature_name)
`fitCalibration`	Cython signature: Param fitCalibration(libcpp_vector[AQS_featureConcentration] & component_concentrations, const String & feature_name, const String & transformation_model, Param transformation_model_params)
`getDefaults`	Cython signature: Param getDefaults() Returns the default parameters
`getName`	Cython signature: String getName() Returns the name
`getParameters`	Cython signature: Param getParameters() Returns the parameters
`getQuantMethods`	Cython signature: libcpp_vector[AbsoluteQuantitationMethod] getQuantMethods()
`getSubsections`	Cython signature: libcpp_vector[String] getSubsections()
`optimizeCalibrationCurveIterative`	Cython signature: bool optimizeCalibrationCurveIterative(libcpp_vector[AQS_featureConcentration] & component_concentrations, const String & feature_name, const String & transformation_model, const Param & transformation_model_params, Param & optimized_params)
`optimizeSingleCalibrationCurve`	Cython signature: void optimizeSingleCalibrationCurve(const String & component_name, libcpp_vector[AQS_featureConcentration] & component_concentrations)
`quantifyComponents`	Cython signature: void quantifyComponents(FeatureMap & unknowns) This function applies the calibration curve, hence quantifying all the components
`setName`	Cython signature: void setName(const String &) Sets the name
`setParameters`	Cython signature: void setParameters(Param & param) Sets the parameters
`setQuantMethods`	Cython signature: void setQuantMethods(libcpp_vector[AbsoluteQuantitationMethod] & quant_methods)

applyCalibration()#: Cython signature: double applyCalibration(const Feature & component, const Feature & IS_component, const String & feature_name, const String & transformation_model, const Param & transformation_model_params)

calculateBias()#: Cython signature: double calculateBias(double actual_concentration, double calculated_concentration) This function calculates the bias of the calibration

calculateBiasAndR()#: Cython signature: void calculateBiasAndR(libcpp_vector[AQS_featureConcentration] & component_concentrations, const String & feature_name, const String & transformation_model, Param & transformation_model_params, libcpp_vector[double] & biases, double & correlation_coefficient)

calculateRatio()#: Cython signature: double calculateRatio(Feature & component_1, Feature & component_2, const String & feature_name)

fitCalibration()#: Cython signature: Param fitCalibration(libcpp_vector[AQS_featureConcentration] & component_concentrations, const String & feature_name, const String & transformation_model, Param transformation_model_params)

getDefaults()#: Cython signature: Param getDefaults() Returns the default parameters

getName()#: Cython signature: String getName() Returns the name

getParameters()#: Cython signature: Param getParameters() Returns the parameters

getQuantMethods()#: Cython signature: libcpp_vector[AbsoluteQuantitationMethod] getQuantMethods()

getSubsections()#: Cython signature: libcpp_vector[String] getSubsections()

optimizeCalibrationCurveIterative()#: Cython signature: bool optimizeCalibrationCurveIterative(libcpp_vector[AQS_featureConcentration] & component_concentrations, const String & feature_name, const String & transformation_model, const Param & transformation_model_params, Param & optimized_params)

optimizeSingleCalibrationCurve()#: Cython signature: void optimizeSingleCalibrationCurve(const String & component_name, libcpp_vector[AQS_featureConcentration] & component_concentrations)

quantifyComponents()#: Cython signature: void quantifyComponents(FeatureMap & unknowns) This function applies the calibration curve, hence quantifying all the components

setName()#: Cython signature: void setName(const String &) Sets the name

setParameters()#: Cython signature: void setParameters(Param & param) Sets the parameters

setQuantMethods()#: Cython signature: void setQuantMethods(libcpp_vector[AbsoluteQuantitationMethod] & quant_methods)