type 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

new empty list __init__(self)
Set up the class.

__repr__(self)
The string representation of the object.

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

delete_model(self, model_num=None)
Delete the given model from the list.

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

from_xml(self, model_nodes, file_version=1)
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__, __iter__, __le__, __len__, __lt__, __mul__, __ne__, __new__, __reversed__, __rmul__, __setitem__, __setslice__, __sizeof__, append, count, extend, index, insert, pop, remove, reverse, sort

Class Variables

Inherited from list: __hash__

Method Details

__init__(self)
(Constructor)

Set up the class.

Returns: new empty list

Overrides: list.__init__

__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: list.__repr__

add_item(self, model_num=None)

Append an empty ModelContainer to the ModelList.

Parameters:

• model_num (int) - The model number.

Returns: ModelContainer instance

The model container.

delete_model(self, model_num=None)

Delete the given model from the list.

Parameters:

• model_num (int) - The model to delete.

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, file_version=1)

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

Parameters:

• model_nodes (xml.dom.minicompat.NodeList instance) - The model XML nodes.
• file_version (int) - The relax XML version of the XML file.

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.