pyiron.atomistics.structure.sparse_list module

class pyiron.atomistics.structure.sparse_list.SparseArray(length=None, **qwargs)

Bases: object

Administrate object that consists of several sparse lists (tags) and full lists that have identical indices and length

Parameters

**qwargs – dictionary containing lists and SparseLists (tags) (must have identical length)

add_tag(*args, **qwargs)

check_consistency()

Returns:

items()

Returns:

keys()

Returns:

remove_tag(*args, **qwargs)

Parameters

• *args –

• **qwargs –

Returns:

class pyiron.atomistics.structure.sparse_list.SparseArrayElement(**qwargs)

Bases: object

Single element of a SparseArray :param **qwargs:

class pyiron.atomistics.structure.sparse_list.SparseList(sparse_list, default=None, length=None)

Bases: object

Object to represent a single sparse list Internal representation like a dict External representation like a list :param sparse_list: dict object with {index: val} :param default: default value for all elements not given by index in sparse_list :param length: length of the list

items()

Returns

index, value pairs of non-sparse elements

keys()

Returns

indices of non-sparse elements

list()

convert sparse list into full list :returns: list representation

to_hdf(hdf, key)

Parameters

• hdf –

• key –

Returns:

values()

Returns

values of non-sparse elements

class pyiron.atomistics.structure.sparse_list.SparseListElement(ind, val)

Bases: object

Handle single element of a sparse lisr :param ind: index :param val: value

pyiron.atomistics.structure.sparse_list.sparse_index(index_list, length, default_val=True)

Parameters

• index_list –

• length –

• default_val –

Returns: