Package schrodinger :: Module structure :: Class _StructureAtomContainer

Class _StructureAtomContainer

object --+
         |
        _StructureAtomContainer

The class to provide access to _StructureAtom instances.

Instance Methods

[hide private]

__init__(self, ct)
Initialize the container.

__delitem__(self, index)
Delete an atom from the Structure.

__getitem__(self, index)
Return the wrapper class for atom based properties.

__iter__(self)
Provide iteration access.

__len__(self)
Return the number of atoms by querying the Structure class.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, ct)
(Constructor)

Initialize the container. The underlying mmct is always present.

Overrides: object.__init__

delitem(self, index)
(Index deletion operator)

Delete an atom from the Structure. Note that this immediately updates the Structure and therefore renumbers any atoms following the one deleted. You can use Structure.deleteAtoms() to easily delete multiple atoms.

getitem(self, index)
(Indexing operator)

Return the wrapper class for atom based properties. Note that the initial index is 1, as per the underlying mmct library, not 0 as is expected for python.

Class _StructureAtomContainer

__init__(self, ct) (Constructor)

__delitem__(self, index) (Index deletion operator)

__getitem__(self, index) (Indexing operator)

init(self, ct)
(Constructor)

delitem(self, index)
(Index deletion operator)

getitem(self, index)
(Indexing operator)