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OpenMS
2.6.0
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98 enum MODELTYPE { LINEAR, LINEAR_WEIGHTED, QUADRATIC, QUADRATIC_WEIGHTED, SIZE_OF_MODELTYPE };
99 static const std::string names_of_modeltype[];
107 static MODELTYPE nameToEnum(
const std::string& name);
114 static const std::string& enumToName(
MODELTYPE mt);
136 static void setCoefficientLimits(
double offset,
double scale,
double power);
155 bool isTrained()
const;
160 double getRT()
const;
174 double predict(
double mz)
const;
187 static Size findNearest(
const std::vector<MZTrafoModel>& tms,
double rt);
192 public std::binary_function<MZTrafoModel, MZTrafoModel, bool>
196 return left < right.
rt_;
200 return left.
rt_ < right;
204 return left.
rt_ < right.
rt_;
229 double rt_left = -std::numeric_limits<double>::max(),
230 double rt_right = std::numeric_limits<double>::max()
257 bool train(std::vector<double> error_mz,
258 std::vector<double> theo_mz,
259 std::vector<double> weights,
274 void getCoefficients(
double& intercept,
double& slope,
double& power);
292 void setCoefficients(
double intercept,
double slope,
double power);
static double limit_scale_
acceptable boundary for the estimated scale; if estimated scale is larger (absolute) the model does n...
Definition: MZTrafoModel.h:76
MODELTYPE
Definition: MZTrafoModel.h:98
A simple struct to carry all the parameters required for a RANSAC run.
Definition: RANSAC.h:58
std::vector< double > coeff_
Model coefficients (for both linear and quadratic models), estimated from the data.
Definition: MZTrafoModel.h:70
A more convenient string class.
Definition: String.h:59
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
bool use_ppm_
during training, model is build on absolute or relative(ppm) predictions. predict(),...
Definition: MZTrafoModel.h:71
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
bool operator()(const double &left, const MZTrafoModel &right) const
Definition: MZTrafoModel.h:194
String toString(const T &i)
fallback template for general purpose using Boost::Karma; more specializations below
Definition: StringUtils.h:127
Create and apply models of a mass recalibration function.
Definition: MZTrafoModel.h:66
static double limit_offset_
acceptable boundary for the estimated offset; if estimated offset is larger (absolute) the model does...
Definition: MZTrafoModel.h:75
double rt_
retention time associated to the model (i.e. where the calibrant data was taken from)
Definition: MZTrafoModel.h:72
Comparator by position. As this class has dimension 1, this is basically an alias for MZLess.
Definition: MZTrafoModel.h:191
bool operator()(const MZTrafoModel &left, const MZTrafoModel &right) const
Definition: MZTrafoModel.h:202
static Math::RANSACParam * ransac_params_
global pointer, init to NULL at startup; set class-global RANSAC params
Definition: MZTrafoModel.h:74
A helper class, holding all calibration points.
Definition: CalibrationData.h:64
static double limit_power_
acceptable boundary for the estimated power; if estimated power is larger (absolute) the model does n...
Definition: MZTrafoModel.h:77
bool operator()(const MZTrafoModel &left, const double &right) const
Definition: MZTrafoModel.h:198