Package schrodinger :: Module structure :: Class _StructureBond

Class _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

__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)

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)

Class Variables

[hide private]

length = property(_getLength, doc= "Length of the bond in angs...

order = property(_getOrder, _setOrder, doc= "Bond order")

type = property(_getType, _setType, doc= "Bond Type")

from_style = property(_getFromStyle, _setFromStyle, doc= "The ...

to_style = property(_getToStyle, _setToStyle, doc= "The bond's...

style = property(_getFromStyle, _setFromStyle, doc= "The bond'...

property = property(_getBondProperty, doc= "Dictionary-like co...

Method Details

[hide private]

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.

Class Variable Details

[hide private]

length

Value:

property(_getLength, doc= "Length of the bond in angstroms.")

from_style

Value:

property(_getFromStyle, _setFromStyle, doc= "The bond's \"from\" style
")

to_style

Value:

property(_getToStyle, _setToStyle, doc= "The bond's \"to\" style")

style

Value:

property(_getFromStyle, _setFromStyle, doc= "The bond's \"from\" style
 (Deprecated, use the \"from_style\" property instead")

property

Value:

property(_getBondProperty, doc= "Dictionary-like container of Bond pro
perties.")