Package cinfony :: Module pybel :: Class Atom

Class Atom

object --+
         |
        Atom

Represent a Pybel atom.

Required parameter:
   OBAtom -- an Open Babel OBAtom

Attributes:
   atomicmass, atomicnum, cidx, coords, coordidx, exactmass,
   formalcharge, heavyvalence, heterovalence, hyb, idx,
   implicitvalence, isotope, partialcharge, spin, type,
   valence, vector.

(refer to the Open Babel library documentation for more info).

The original Open Babel atom can be accessed using the attribute:
   OBAtom

Instance Methods

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

source code

__str__(self)
str(x)

source code

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

Properties
	coords
	atomicmass
	atomicnum
	cidx
	coordidx
	exactmass
	formalcharge
	heavyvalence
	heterovalence
	hyb
	idx
	implicitvalence
	isotope
	partialcharge
	spin
	type
	valence
	vector
Inherited from `object`: `__class__`

Method Details

init(self, OBAtom)
(Constructor)

source code

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

Overrides: object.__init__: (inherited documentation)

str(self)
(Informal representation operator)

source code

str(x)

Overrides: object.__str__: (inherited documentation)

Property Details

coords

Get Method:: unreachable.coords(self)

atomicmass

Get Method:: unreachable.atomicmass(self)

atomicnum

Get Method:: unreachable.atomicnum(self)

cidx

Get Method:: unreachable.cidx(self)

coordidx

Get Method:: unreachable.coordidx(self)

exactmass

Get Method:: unreachable.exactmass(self)

formalcharge

Get Method:: unreachable.formalcharge(self)

heavyvalence

Get Method:: unreachable.heavyvalence(self)

heterovalence

Get Method:: unreachable.heterovalence(self)

hyb

Get Method:: unreachable.hyb(self)

idx

Get Method:: unreachable.idx(self)

implicitvalence

Get Method:: unreachable.implicitvalence(self)

isotope

Get Method:: unreachable.isotope(self)

partialcharge

Get Method:: unreachable.partialcharge(self)

spin

Get Method:: unreachable.spin(self)

type

Get Method:: unreachable.type(self)

valence

Get Method:: unreachable.valence(self)

vector

Get Method:: unreachable.vector(self)

Class Atom

__init__(self, OBAtom) (Constructor)

__str__(self) (Informal representation operator)

coords

atomicmass

atomicnum

cidx

coordidx

exactmass

formalcharge

heavyvalence

heterovalence

hyb

idx

implicitvalence

isotope

partialcharge

spin

type

valence

vector

init(self, OBAtom)
(Constructor)

str(self)
(Informal representation operator)