Table

class ase2sprkkr.common.grammar_types.Table(columns=None, header=None, free_header=False, format={<class 'float'>: '>21.17', None: '>16'}, format_all=True, numbering=None, numbering_label=None, numbering_format=True, prefix=None, postfix=None, length=None, row_condition=None, default_values=False, named_result=False, **kwargs)[source]

Table, optionaly with named columns, e.g.

::text

IQ IREFQ IMQ NOQ ITOQ CONC

1 1 1 1 1 1.000 2 2 2 1 2 1.000

Class hierarchy

Inheritance diagram of ase2sprkkr.common.grammar_types.Table

Constructor

__init__(columns=None, header=None, free_header=False, format={<class 'float'>: '>21.17', None: '>16'}, format_all=True, numbering=None, numbering_label=None, numbering_format=True, prefix=None, postfix=None, length=None, row_condition=None, default_values=False, named_result=False, **kwargs)[source]

Create the object.

Parameters
  • prefix – The string, that will be printed before the value

  • postfix – The string, that will be printed after the value

  • format – The (python) format string, that will be used for printing the value. The format is passed as format argument to str.format routine.

  • default_value – The default value of the options of this type. None means no default value.

  • condition – Function, that check the validity of the value. It should return True for a valid value, and False or string for invalid. The string is interpreted as an error message that explains the invalidity of the value.

  • after_convert – Function, that - if it is given - is applied to the (entered or parsed) value. The function is applied on the result of the convert method

name_in_grammar = False

Default value for ValueDefinition.name_in_grammar. Some types (e.g. Tables) commonly have no name (are identified by its position in the potential file) – such type could redefine this class property.

_grammar(param_name=False)[source]
_string(data)[source]

The string method do some additional transformation (add prefix, postfix etc.), so the actual way how to convert the value for the output should be here.

_validate(value, why='set')[source]

Return error message if the value is not valid.

convert(value)[source]

Convert a value from user to the “cannonical form”

property numpy_type

The base class of the class hierarchy.

When called, it accepts no arguments and returns a new featureless instance that has no instance attributes and cannot be given any.

number_of_collumns()[source]
zero_data(length)[source]

Return array of zeros with the given number of rows and with the dtype of the table

grammar_name()[source]

Human readable expression of the grammar. By default, this is what is set by grammar.setName, however, sometimes is desirable to set even shorter string

static is_the_same_value(a, b)

The numpy arrays cannot be compared by =, that’s why this method. However, the method is still far from to be perfect, it can not compare nested numpy arrays.