libpyvinyl.BaseCalculator

class libpyvinyl.BaseCalculator(name, input, output_keys, output_data_types, output_filenames=None, instrument_base_dir='./', calculator_base_dir=None, parameters=None)[source]

Class:: Base class of all calculators.

This class is provides the libpyvinyl API. It defines all methods through which a user interacts with the simulation backengines.

This class is to be used as a base class for all calculators that implement a special simulation module, such as a photon diffraction calculator. Such a specialized Calculator has the same interface to the simulation backengine as all other ViNYL Calculators.

A complete example including a instrument and calculators can be found in test/integration/plusminus

Parameters:

name (str) – The name of this calculator.
input (Union[DataCollection, List[BaseData], BaseData]) – The input of this calculator. It can be a DataCollection, a list of `BaseData`s or a single Data Object.
output_keys (Union[list, str]) – The key(s) of this calculator’s output data.
output_data_types (Union[list, BaseData]) – The data type(s), i.e., classes, of each output. It’s a list of the data classes or a single data class. The available data classes are based on BaseData.
output_filenames (Union[list, str, None]) – The name(s) of the output file(s). It can be a str of a filename or a list of filenames. If the mapping is dict mapping, the name is None. Defaults to None.
instrument_base_dir (str) – The base directory for the instrument to which this calculator belongs. The final exact output file path depends on instrument_base_dir and calculator_base_dir: instrument_base_dir/calculator_base_dir/filename
calculator_base_dir (Optional[str]) – The base directory for this calculator. The final exact output file path depends on instrument_base_dir and calculator_base_dir: instrument_base_dir/calculator_base_dir/filename
parameters (Optional[CalculatorParameters]) – The parameters for this calculator.

__init__(name, input, output_keys, output_data_types, output_filenames=None, instrument_base_dir='./', calculator_base_dir=None, parameters=None)[source]

Parameters:

name (str) – The name of this calculator.
input (Union[DataCollection, List[BaseData], BaseData]) – The input of this calculator. It can be a DataCollection, a list of `BaseData`s or a single Data Object.
output_keys (Union[list, str]) – The key(s) of this calculator’s output data.
output_data_types (Union[list, BaseData]) – The data type(s), i.e., classes, of each output. It’s a list of the data classes or a single data class. The available data classes are based on BaseData.
output_filenames (Union[list, str, None]) – The name(s) of the output file(s). It can be a str of a filename or a list of filenames. If the mapping is dict mapping, the name is None. Defaults to None.
instrument_base_dir (str) – The base directory for the instrument to which this calculator belongs. The final exact output file path depends on instrument_base_dir and calculator_base_dir: instrument_base_dir/calculator_base_dir/filename
calculator_base_dir (Optional[str]) – The base directory for this calculator. The final exact output file path depends on instrument_base_dir and calculator_base_dir: instrument_base_dir/calculator_base_dir/filename
parameters (Optional[CalculatorParameters]) – The parameters for this calculator.

Methods

`__init__`(name, input, output_keys, ...[, ...])	type name: `str`
`backengine`()
`dump`([fname])	Dump class instance to file.
`from_dump`(dumpfile)	Load a dill dump from a dumpfile.
`init_parameters`()	Virtual method to initialize all parameters.
`reset_parameters`(value)	Resets the calculator parameters
`set_calculator_base_dir`(value)	Set the calculator base directory
`set_input`(value)	Set the calculator input data.
`set_instrument_base_dir`(value)	Set the instrument base directory
`set_output_data_types`(value)	Set the calculator output data type.
`set_output_filenames`(value)	Set the calculator output filenames.
`set_output_keys`(value)	Set the calculator output keys.
`set_parameters`([args_as_dict])	Sets parameters contained in this calculator using dict or kwargs

Attributes

`base_dir`	The base path for the output files of this calculator in consideration of instrument_base_dir and calculator_base_dir
`calculator_base_dir`
`data`	The alias of output.
`input`
`instrument_base_dir`
`name`
`output`	The output of this calculator
`output_data_types`
`output_file_paths`	The final output file paths considering base_dir
`output_filenames`
`output_keys`
`parameters`