BornAgain  1.19.79
Open-source research software to simulate and fit neutron and x-ray reflectometry and grazing-incidence small-angle scattering
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RQ4Metric Class Reference

Description

Implementation of relative difference metric. With default L2 norm and weighting off corresponds to the formula.

\[Result = \sum (I \cdot Q^4 - D \cdot Q^4)^2\]

where $Q$ is the scattering vector magnitude. If weighting is on, coincides with the metric provided by Chi2Metric class.

Definition at line 191 of file ObjectiveMetric.h.

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Public Member Functions

 RQ4Metric ()
 
RQ4Metric * clone () const override
 
double compute (const SimDataPair &data_pair, bool use_weights) const override
 Computes metric value from SimDataPair object. Calls computeFromArrays internally. More...
 
double computeFromArrays (std::vector< double > sim_data, std::vector< double > exp_data, std::vector< double > exp_stdv, std::vector< double > weight_factors) const override
 Computes metric value from data arrays. Negative values in exp_data are ignored as well as non-positive weight_factors and uncertainties. All arrays involved in the computation must be of the same size. More...
 
double computeFromArrays (std::vector< double > sim_data, std::vector< double > exp_data, std::vector< double > weight_factors) const override
 Computes metric value from data arrays. Negative values in exp_data are ignored as well as non-positive weight_factors. All arrays involved in the computation must be of the same size. More...
 
auto norm () const
 Returns a copy of the normalization function used. More...
 
void setNorm (std::function< double(double)> norm)
 
virtual void transferToCPP ()
 Used for Python overriding of clone (see swig/tweaks.py) More...
 

Private Attributes

std::function< double(double)> m_norm
 

Constructor & Destructor Documentation

◆ RQ4Metric()

RQ4Metric::RQ4Metric ( )

Definition at line 240 of file ObjectiveMetric.cpp.

241  : Chi2Metric()
242 {
243 }

Member Function Documentation

◆ clone()

RQ4Metric * RQ4Metric::clone ( ) const
overridevirtual

Reimplemented from Chi2Metric.

Definition at line 245 of file ObjectiveMetric.cpp.

246 {
247  return copyMetric(*this);
248 }

◆ compute()

double RQ4Metric::compute ( const SimDataPair &  data_pair,
bool  use_weights 
) const
overridevirtual

Computes metric value from SimDataPair object. Calls computeFromArrays internally.

Parameters
data_pairSimDataPair object. Can optionally contain data uncertainties
use_weightsboolean, defines if data uncertainties should be taken into account

Reimplemented from ObjectiveMetric.

Definition at line 250 of file ObjectiveMetric.cpp.

251 {
252  if (use_weights)
253  return Chi2Metric::compute(data_pair, use_weights);
254 
255  // fetching data in RQ4 form
256  const std::vector<double> sim_vec = data_pair.simulationResult().flatVector(Coords::RQ4);
257  const std::vector<double> exp_vec = data_pair.experimentalData().flatVector(Coords::RQ4);
258 
259  return computeFromArrays(sim_vec, exp_vec, data_pair.user_weights_array());
260 }
Chi2Metric::computeFromArrays
double computeFromArrays(std::vector< double > sim_data, std::vector< double > exp_data, std::vector< double > exp_stdv, std::vector< double > weight_factors) const override
Computes metric value from data arrays. Negative values in exp_data are ignored as well as non-positi...
Definition: ObjectiveMetric.cpp:96
ObjectiveMetric::compute
virtual double compute(const SimDataPair &data_pair, bool use_weights) const
Computes metric value from SimDataPair object. Calls computeFromArrays internally.
Definition: ObjectiveMetric.cpp:66
SimDataPair::user_weights_array
std::vector< double > user_weights_array() const
Returns a flat array of user weights cut to the ROI area.
Definition: SimDataPair.cpp:240
SimDataPair::experimentalData
SimulationResult experimentalData() const
Returns the experimental data cut to the ROI area.
Definition: SimDataPair.cpp:171
SimDataPair::simulationResult
SimulationResult simulationResult() const
Returns the result of last computed simulation.
Definition: SimDataPair.cpp:164
SimulationResult::flatVector
std::vector< double > flatVector(Coords units=Coords::UNDEFINED) const
Definition: SimulationResult.cpp:76
Coords::RQ4
@ RQ4

References ObjectiveMetric::compute(), Chi2Metric::computeFromArrays(), SimDataPair::experimentalData(), SimulationResult::flatVector(), RQ4, SimDataPair::simulationResult(), and SimDataPair::user_weights_array().

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◆ computeFromArrays() [1/2]

double Chi2Metric::computeFromArrays ( std::vector< double >  sim_data,
std::vector< double >  exp_data,
std::vector< double >  exp_stdv,
std::vector< double >  weight_factors 
) const
overridevirtualinherited

Computes metric value from data arrays. Negative values in exp_data are ignored as well as non-positive weight_factors and uncertainties. All arrays involved in the computation must be of the same size.

Parameters
sim_dataarray with simulated intensities.
exp_dataarray with intensity values obtained from an experiment.
exp_stdvarray with experimental data uncertainties.
weight_factorsuser-defined weighting factors. Used linearly, no matter which norm is chosen.

Implements ObjectiveMetric.

Definition at line 96 of file ObjectiveMetric.cpp.

99 {
100  checkIntegrity(sim_data, exp_data, exp_stdv, weight_factors);
101 
102  double result = 0.0;
103  auto norm_fun = norm();
104  for (size_t i = 0, sim_size = sim_data.size(); i < sim_size; ++i)
105  if (exp_data[i] >= 0.0 && weight_factors[i] > 0.0 && exp_stdv[i] > 0.0)
106  result += norm_fun((exp_data[i] - sim_data[i]) / exp_stdv[i]) * weight_factors[i];
107 
108  return std::isfinite(result) ? result : double_max;
109 }
ObjectiveMetric::norm
auto norm() const
Returns a copy of the normalization function used.
Definition: ObjectiveMetric.h:67

Referenced by compute().

◆ computeFromArrays() [2/2]

double Chi2Metric::computeFromArrays ( std::vector< double >  sim_data,
std::vector< double >  exp_data,
std::vector< double >  weight_factors 
) const
overridevirtualinherited

Computes metric value from data arrays. Negative values in exp_data are ignored as well as non-positive weight_factors. All arrays involved in the computation must be of the same size.

Parameters
sim_dataarray with simulated intensities.
exp_dataarray with intensity values obtained from an experiment.
weight_factorsuser-defined weighting factors. Used linearly, no matter which norm is chosen.

Implements ObjectiveMetric.

Reimplemented in meanRelativeDifferenceMetric, and PoissonLikeMetric.

Definition at line 111 of file ObjectiveMetric.cpp.

113 {
114  checkIntegrity(sim_data, exp_data, weight_factors);
115 
116  auto norm_fun = norm();
117  double result = 0.0;
118  for (size_t i = 0, sim_size = sim_data.size(); i < sim_size; ++i)
119  if (exp_data[i] >= 0.0 && weight_factors[i] > 0.0)
120  result += norm_fun(exp_data[i] - sim_data[i]) * weight_factors[i];
121 
122  return std::isfinite(result) ? result : double_max;
123 }

References ObjectiveMetric::norm().

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◆ norm()

auto ObjectiveMetric::norm ( ) const
inlineinherited

Returns a copy of the normalization function used.

Definition at line 67 of file ObjectiveMetric.h.

67 { return m_norm; }
ObjectiveMetric::m_norm
std::function< double(double)> m_norm
Definition: ObjectiveMetric.h:70

References ObjectiveMetric::m_norm.

Referenced by LogMetric::computeFromArrays(), Chi2Metric::computeFromArrays(), PoissonLikeMetric::computeFromArrays(), meanRelativeDifferenceMetric::computeFromArrays(), and ObjectiveMetric::setNorm().

◆ setNorm()

void ObjectiveMetric::setNorm ( std::function< double(double)>  norm)
inherited

Definition at line 79 of file ObjectiveMetric.cpp.

80 {
81  m_norm = std::move(norm);
82 }

References ObjectiveMetric::m_norm, and ObjectiveMetric::norm().

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◆ transferToCPP()

virtual void ICloneable::transferToCPP ( )
inlinevirtualinherited

Used for Python overriding of clone (see swig/tweaks.py)

Definition at line 32 of file ICloneable.h.

Member Data Documentation

◆ m_norm

std::function<double(double)> ObjectiveMetric::m_norm
privateinherited

Definition at line 70 of file ObjectiveMetric.h.

Referenced by ObjectiveMetric::norm(), and ObjectiveMetric::setNorm().

The documentation for this class was generated from the following files: