Changelog

ospsuite 11.1.197

Adds new visualization functions:
- plotObservedVsSimulated() for observed versus simulated data scatter plot.
- plotResidualsVsTime() for time versus residuals data scatter plot.
- plotResidualsVsSimulated() for simulated versus residuals data scatter plot.
Adds new helper functions to work with DataCombined objects:
- convertUnits() to convert datasets in DataCombined to common units.
- calculateResiduals() to calculate residuals for datasets in DataCombined.

The class SimulationBatch gets a new property id.
The output of runSimulationBatches() is now a named list with names being the ids of SimulationBatch.
calculateResiduals() now uses log(base = 10) for calculation of residuals in logarithmic scale instead if log(base = exp(1))
calculateResiduals() does also return residuals for entries where simulated or observed value is 0 in logarithmic scale. These values were ignored in previous versions. If the observed or simulated value is zero or negative, it is replaced by an arbitrary small value getOSPSuiteSetting("LOG_SAFE_EPSILON") (1e-20 by default).

SimulationBatch$addRunValues() will throw an error when any start value is NaN
SimulatioBatch gets methods getVariableParameters() and getVariableMolecules() that return list of parameter resp. molecule paths that are defined variable.

Adds new DataCombined class that combines observed data (DataSet) and simulated data (SimulationResults) into a single object. Especially important is the $toDataFrame() method of this object that returns a data frame containing combined data from observed and simulated data, which can be further used for visualizations or other analysis.
Adds new visualization functions:
- plotIndividualTimeProfile() and plotPopulationTimeProfile() to create time-profile plots.
Adds a new class DefaultPlotConfiguration to provide plot configurations for plotting functions.
Adds simulationResultsToDataFrame() function to convert SimulationResults objects into a data frame.
All *ToDataFrame() functions also get *ToTibble() variants to extract a tibble data frame instead of a classical data frame.

Following functions are marked for deprecation and will be removed in future releases:
- pkAnalysesAsDataFrame() is now pkAnalysesToDataFrame()
- populationAsDataFrame() is now populationToDataFrame()

Signature for toUnit function has changed. molWeight is now the fifth, while sourceUnit is the fourth parameter (#837).
DataImporterConfiguration: fields timeUnitFromColumn and measurementUnitFromColumn are renamed to isTimeUnitFromColumn and isMeasurementUnitFromColumn
The constructor for DataImporterConfiguration does not accept a path to a configuration file any more. Use the function loadDataImporterConfiguration() to create a configuration object from a file.
The constructor for DataSet objects requires a name argument.
All validate*() helper functions and "%||%" infix operators are no longer exported. Please have a look at the new utility package, from which these functions are now exported: https://www.open-systems-pharmacology.org/OSPSuite.RUtils/.
The pkAnalysesAsDataFrame() function changes column data types for QuantityPath, Parameter, and Unit from factor to character (https://github.com/Open-Systems-Pharmacology/OSPSuite-R/issues/673).