kromatography.compute.factories package

Submodules

kromatography.compute.factories.api module

API functions and classes for the Reveal Chromatography PARAMETER EXPLORER FACTORIES sub-package.

kromatography.compute.factories.experiment_optimizer module

Factory to translate optimizer builders into optimizer instances.

kromatography.compute.factories.experiment_optimizer.optimizer_builder_to_optimizer(builder, **kw)[source]

Factory to build an optimizer from a BruteForceOptimizerBuilder.

Parameters:
  • builder (OptimizerBuilder) – Builder containing all necessary information to build the optimizer.
  • kw (dict) – Additional BruteForceOptimizer attributes to override defaults. Any parameter in the following list will be overridden by the optimizer_builder value: name, target_experiments, cost_function_type, and starting_point_simulations.
kromatography.compute.factories.experiment_optimizer.build_optimizer(step0_scan_params, optimizer_type='Grid-search Optimizer', **kw)[source]

Build a brute force optimizer from all necessary parameters.

Parameters:
  • optimizer_type (str) – Name of the optimizer type. Should be one of the types listed in the OPTIMIZERS dict.
  • step0_scan_params (list(SMAParameterScanDescription)) – List of parameter scans, describing the parameters to be explored.
  • kw (dict) – Additional parameters to override the defaults in the optimizer class. Typical elements in this dict are the name, target_experiments (list of Experiments), cost_function_type and starting_point_simulations.