proxtoolbox.experiments.orbitaltomography package

Submodules

proxtoolbox.experiments.orbitaltomography.molecule_3d module

proxtoolbox.experiments.orbitaltomography.orbitExperiment module

class proxtoolbox.experiments.orbitaltomography.orbitExperiment.OrbitalTomographyExperiment(**kwargs)

Bases: proxtoolbox.experiments.experiment.Experiment

Basic orbital tomography experiment class, to be extended with further functionality in a child class.

loadData()

Load or generate the dataset that will be used for this experiment. Create the initial iterate.

reshapeData(Nx, Ny, Nz)

Remnant of experiment class, called after loadData during initialization

setupProxOperators()

Determine the prox operators to be used based on the given constraint. This method is called during the initialization process.

sets the parameters: - self.proxOperators - self.propagator and self.inverse_propagator

show()

Basic plotting routine, plots the results of the algorithm. Can be extended with further plots in child classes References to the plots can be stored in self.output[‘plots’] :return:

proxtoolbox.experiments.orbitaltomography.planar_molecule module

proxtoolbox.experiments.orbitaltomography.planar_molecule_demo module