Package schrodinger :: Module structure :: Class _StructureBond
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Class _StructureBond

  object --+    
           |    
_NotSortable --+
               |
              _StructureBond

A class for pythonic access to bond properties.

Attributes

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)