sknano.core.atoms.TypeAtoms

class sknano.core.atoms.TypeAtoms(atoms=None, **kwargs)

An Atoms sub-class for TypeAtoms.

A container class for TypeAtom objects.

Parameters:

atoms : {None, sequence, TypeAtoms}, optional

if not None, then a list of TypeAtom instance objects or an existing TypeAtoms instance object.

Attributes

M	Total mass of Atoms.
Natoms	Number of atoms in Atoms.
Ntypes	Number of unique types.
atomtypes	Alias for types.
elements	ndarray of Atom.elements in Atoms.
fmtstr
masses	ndarray of Atom.masss in Atoms.
symbols	ndarray of Atom.symbols in Atoms.
typemap	dict of TypeAtom.types.
types	ndarray of TypeAtom.types.

Methods

add_atomtype(atom)	Alias for add_type.
add_atomtypes([atoms])	Alias for add_types.
add_type(atom)	Add atom type to typemap.
add_types([atoms])	Add atom type for each atom in atoms to TypeAtom.typemap dictionary.
append(atom)
assign_unique_types([from_attr])	Assign unique TypeAtom.types to each TypeAtom in TypeAtoms from an existing unique atom attribute.
clear()
copy()
count(item)
extend(other)
filter(condition[, invert])	Filter Atoms by condition.
filtered(condition[, invert])	Return new list of Atoms filtered by condition.
get_atoms([asarray])	Return list of Atoms.
get_atomtypes([asdict])	Alias for get_types.
get_types([asdict])	Return list of TypeAtom TypeAtom.types.
getatomattr(attr)	Get ndarray of atom attributes attr.
index(item, *args)
insert(i, item)
mapatomattr([from_attr, to_attr, attrmap])	Set/update atom attribute from another atom attribute with dict.
pop([i])
remove(item)
reverse()
rezero([epsilon])	Set values with absolute value less than epsilon to zero.
rotate(**kwargs)	Rotate Atom vectors.
sort([key, reverse])
todict()
translate(t[, fix_anchor_points])	Translate Atom vectors by Vector t.