Package schrodinger :: Module structure :: Class _StructureBond

Class _StructureBond

  object --+    
           |    
_NotSortable --+
               |
              _StructureBond

A class for pythonic access to bond properties.

Attributes

atom1: The first atom, by which the bond is defined.
atom2: The atom bonded to atom1.

Instance Methods

[hide private]

__init__(self, ct, atom_index, index)
A bond is defined by its underlying Structure, the atom index that it is anchored to, and the bond index.

__eq__(self, that)
Test _StructureBond equality by the bonded atoms.

__ne__(self, other)
Test _StructureBond inequality based on the bonded atoms.

__hash__(self)
Hash value for bond, based on the index values of the atoms involved and the handle of the underlying Structure.

__str__(self)
str(x)

delete(self)
Delete this bond.

_getBondIndex(self)
Get current internal to mmct bond index.

_getLength(self)

_getOrder(self)
Return bond order.

_setOrder(self, order)
Set bond order.

_getType(self)
@returns schrodinger.structure.BondType

_setType(self, bond_type)
@type bond_type schrodinger.structure.BondType

_getFromStyle(self)
Return bond's "from" style.

_setFromStyle(self, style)
Set bond "from" style.

_getToStyle(self)
Return bond's "to" style.

_setToStyle(self, style)
Set bond "to" style.

_getStyleOld(self)

_setStyleOld(self, style)

setStyle(self, style)
Set the bond's style in both directions ("from" and "to")

_getBondProperty(self)

Inherited from _NotSortable: __ge__, __gt__, __le__, __lt__

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

Properties

[hide private]

length
Length of the bond in angstroms.

order
Bond order

type
Bond Type

from_style
The bond's "from" style

to_style
The bond's "to" style

style
The bond's "from" style (Deprecated, use the "from_style" property instead

property
Dictionary-like container of Bond properties.

Inherited from object: __class__

Method Details

[hide private]

init(self, ct, atom_index, index)
(Constructor)

A bond is defined by its underlying Structure, the atom index that it is anchored to, and the bond index.

Overrides: object.__init__

hash(self)
(Hashing function)

Hash value for bond, based on the index values of the atoms involved and the handle of the underlying Structure.

Overrides: object.__hash__

str(self)
(Informal representation operator)

str(x)

Overrides: object.__str__: (inherited documentation)

delete(self)

Delete this bond. Use with care. Iteration over bonds may be affected.

_getBondIndex(self)

Get current internal to mmct bond index. Returns None if not currently a represented bond.

This is regrettably necessary to deal with certain mmct calls.

_getOrder(self)

Return bond order. Returns None for the MMCT_NONE type, integer values for zero through three.

_setOrder(self, order)

Set bond order. Using an order of None sets order to MMCT_NONE, otherwise must be an int from 0 to 3.

Property Details

[hide private]

length

Length of the bond in angstroms.

Get Method:: _getLength(self)

order

Bond order

Get Method:: _getOrder(self) - Return bond order.
Set Method:: _setOrder(self, order) - Set bond order.

type

Bond Type

Get Method:: _getType(self) - @returns schrodinger.structure.BondType
Set Method:: _setType(self, bond_type) - @type bond_type schrodinger.structure.BondType

from_style

The bond's "from" style

Get Method:: _getFromStyle(self) - Return bond's "from" style.
Set Method:: _setFromStyle(self, style) - Set bond "from" style.

to_style

The bond's "to" style

Get Method:: _getToStyle(self) - Return bond's "to" style.
Set Method:: _setToStyle(self, style) - Set bond "to" style.

style

The bond's "from" style (Deprecated, use the "from_style" property instead

Get Method:: _getFromStyle(self) - Return bond's "from" style.
Set Method:: _setFromStyle(self, style) - Set bond "from" style.

property

Dictionary-like container of Bond properties.

Get Method:: _getBondProperty(self)

Class _StructureBond

__init__(self, ct, atom_index, index) (Constructor)

__hash__(self) (Hashing function)

__str__(self) (Informal representation operator)

delete(self)

_getBondIndex(self)

_getOrder(self)

_setOrder(self, order)

length

order

type

from_style

to_style

style

property

init(self, ct, atom_index, index)
(Constructor)

hash(self)
(Hashing function)

str(self)
(Informal representation operator)