NumpyViewDefinition
- class ase2sprkkr.common.generated_configuration_definitions.NumpyViewDefinition(name, data, selector=slice(None, None, None), shape=None, transpose=False, reorder=None, transform_key=None, plot=None, written_name=None, alternative_names=None, is_optional=False, is_hidden=False, is_expert=False, name_in_grammar=None, info=None, description=None, write_alternative_name=False, condition=None, write_condition=None, result_class=None, warning_condition=None)[source]
Values described by this description are possibly reshaped views into a large “raw data array”
- Parameters:
name – Name of the resulting variable
data – The source variable, from which the data are taken
selector – The selector, which select the data to be viewed. Any slice or simple numpy index is allowed.
shape – The data will be reshaped to given shape. The dimension can be given either by number, or by names of other container variables. E.g.
('NE', 5)
transpose – Transpose the source data before returning or indexing. If reorder is given, this settings has no effect.
reorder – Reorder the axes after reshaping. Argument is the array of axes order, e.g. (2,0,1) shifts the last axis to be the first.
transform_key – Transform function for the keys idnexing the array (e.g. the string name can be transformed to a propper numerical index)
plot – PlotInfo object that defines how the results are plotted
write_alternative_name (bool) –
Class hierarchy
Constructor
- __init__(name, data, selector=slice(None, None, None), shape=None, transpose=False, reorder=None, transform_key=None, plot=None, written_name=None, alternative_names=None, is_optional=False, is_hidden=False, is_expert=False, name_in_grammar=None, info=None, description=None, write_alternative_name=False, condition=None, write_condition=None, result_class=None, warning_condition=None)[source]
- Parameters:
name (str) – Name of the value/section
written_name (str or None) – Name to write to the input file. Default None means use the name.
alternative_names (str or [str]) – Alternative names that can denotes the value. If no written_name is given, the first alternative_names is used for the output. However, contrary to written_name, such way still allow to parse the name during parsing as the name of the value.
is_optional (boolean) – If True, this section/value can be missing in the .pot/task file
is_hidden (boolean) – Hidden values are not offered to a user, usually they are set by another object (and so a direct setting of their values has no sense)
is_expert (boolean) – Expert values/sections are not required and they are somewhat hidden from the user
name_in_grammar (boolean or None) – If False, there the name of the variable is not printed in the configuration file. The variable is recognized by its position. If None, the default class value is used
info (str) – A short help message for the value/section. It will be the perex for description.
description (str) – The additional informations for the users.
write_alternative_name (bool) – Wheter use the name or the (first) alternative name in the output.
write_condition – If defined, write the value, only if write_condition(the option) is True.
condition –
- If defined, the condition
the condition.parse_condition() is invoked, when a given grammar element should be parsed. If it is False, the element is skipped
the condition() is invoked, when the elements of the container is listed to hide the inactive members
result_class – Redefine the class that holds data for this option/section.
warning_condition – If this lambda returns a non-none during validation, a warning will be issued.