schrodinger :: trajectory :: atomselection :: _AtomSelection :: Class _AtomSelection

Class _AtomSelection

object --+
         |
        _AtomSelection

A general class for ASL expression support.

Marked as private because it will probably be moved or removed.

Instance Methods

[hide private]

__init__(self, st, asl_expr='all')
x.__init__(...) initializes x; see help(type(x)) for signature

updateSelection(self)
A method to allow updating the selection for a modified structure.

_setSelection(self)
Set the current selection atoms.

_setAslExpr(self, asl_expr)
Set the ASL expression and update the selection.

isDynamic(self)

__iter__(self)
Iterate over selected atoms, returning _StructureAtom instances.

__getitem__(self, n)
Get item 'n' (as a _StructureAtom instance) from the selected atoms.

__len__(self)
Return the number of atoms in the selection.

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

Properties

[hide private]

asl_expr
atom selection expression

selected_indices

selected_bitset

Inherited from object: __class__

Method Details

[hide private]

init(self, st, asl_expr=`'all'`)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__: (inherited documentation)

updateSelection(self)

A method to allow updating the selection for a modified structure. This is useful for dynamic expressions (i.e. ones that depend on structure coordinates).

getitem(self, n)
(Indexing operator)

Get item 'n' (as a _StructureAtom instance) from the selected atoms. Index starts at 1 and refers to the position in the selected atoms list.

Property Details

[hide private]

asl_expr

atom selection expression

Get Method:: unreachable.asl_expr(self) - atom selection expression

selected_indices

Get Method:: unreachable.selected_indices(self)

selected_bitset

Get Method:: unreachable.selected_bitset(self)

Class _AtomSelection

__init__(self, st, asl_expr='all') (Constructor)

updateSelection(self)

__getitem__(self, n) (Indexing operator)

asl_expr

selected_indices

selected_bitset

init(self, st, asl_expr=`'all'`)
(Constructor)

getitem(self, n)
(Indexing operator)