Class ModelList

List type data container for the different structural models.

Here different models are defined as the same molecule but with different conformations.

Instance Methods

__repr__(self)
The string representation of the object.

add_item(self, model_num=None)
Append an empty ModelContainer to the ModelList.

bool is_empty(self)
Method for testing if this ModelList object is empty.

from_xml(self, model_nodes, id=None)
Recreate a model list data structure from the XML model nodes.

to_xml(self, doc, element)
Create XML elements for each model.

Inherited from list: __add__, __contains__, __delitem__, __delslice__, __eq__, __ge__, __getattribute__, __getitem__, __getslice__, __gt__, __iadd__, __imul__, __init__, __iter__, __le__, __len__, __lt__, __mul__, __ne__, __new__, __reversed__, __rmul__, __setitem__, __setslice__, __sizeof__, append, count, extend, index, insert, pop, remove, reverse, sort

Inherited from object: __delattr__, __format__, __reduce__, __reduce_ex__, __setattr__, __str__, __subclasshook__

Class Variables

Inherited from list: __hash__

Properties

Inherited from object: __class__

Method Details

__repr__(self)
(Representation operator)

The string representation of the object.

Rather than using the standard Python conventions (either the string representation of the value or the "<...desc...>" notation), a rich-formatted description of the object is given.

Overrides: object.__repr__

add_item(self, model_num=None)

Append an empty ModelContainer to the ModelList.

Parameters:

• model_num (int) - The model number.

is_empty(self)

Method for testing if this ModelList object is empty.

Returns: bool

True if this list only has one ModelContainer and the model name has not been set, False otherwise.

from_xml(self, model_nodes, id=None)

Recreate a model list data structure from the XML model nodes.

Parameters:

• model_nodes (xml.dom.minicompat.NodeList instance) - The model XML nodes.
• id (str) - The specific structural object ID string. This can be 'scientific', 'internal', etc.

to_xml(self, doc, element)

Create XML elements for each model.

Parameters:

• doc (xml.dom.minidom.Document instance) - The XML document object.
• element (XML element object) - The element to add the model XML elements to.