Class Orbital

Instance Methods

[hide private]

__init__(self, atom, type, bond, electrons)

getBond(self)
If a neighbor atom was specified, this should be a bond orbital.

__eq__(self, other)

equals(self, other, matchReferences=True)

__str__(self)

isBondOrbital(self)

isEmpty(self)

isLonePair(self)

inPiSystem(self)

pCharacter(self)
Intended to be called on non-bond orbitals only, gives the p character of the orbitals hybridization.

Class Variables

[hide private]

atom = <CHEM.DB.rdb.search.NameRxnPatternMatchingModel.SearchS...

type = <CHEM.DB.rdb.search.NameRxnPatternMatchingModel.SearchS...

neighbor = <CHEM.DB.rdb.search.NameRxnPatternMatchingModel.Sea...

electrons = <CHEM.DB.rdb.search.NameRxnPatternMatchingModel.Se...

score = <CHEM.DB.rdb.search.NameRxnPatternMatchingModel.Search...

flag = <CHEM.DB.rdb.search.NameRxnPatternMatchingModel.SearchS...

Method Details

[hide private]

getBond(self)

If a neighbor atom was specified, this should be a bond orbital. Get a reference to the bond object indirectly. Don't depend on a direct reference because "moveOrbitalElectrons" functions can delete bonds, causing such references to become invalid.

pCharacter(self)

Intended to be called on non-bond orbitals only, gives the p character of the orbitals hybridization. Essentially equal to the hybridization integer value (3 for sp3, 2 for sp2, etc.)

Class Variable Details

[hide private]

atom

Value:

None

type

Value:

None

neighbor

Value:

None

electrons

Value:

None

score

Value:

None

flag

Value:

None