TypeAtoms

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

Bases: sknano.core.atoms.atoms.Atoms

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.
fmtstr	Format string.
masses	ndarray of Atom.masss.
symbols	ndarray of Atom.symbols.
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, aslist])	Return Atoms either as list (default) or numpy array or self.
get_atomtypes([asdict])	Alias for get_types.
get_types([asdict])	Return list of TypeAtom TypeAtom.types.
getattr(attr[, default, recursive])	Get ndarray of atom attributes attr.
index(item, *args)
insert(i, atom)
mapatomattr([from_attr, to_attr, attrmap])	Set/update atom attribute from another atom attribute with dict.
pop([i])
remove(item)
reset_attrs(**kwargs)	Call corresponding reset_attrs method on each atom
reverse()
rezero([epsilon])	Set values with absolute value less than epsilon to zero.
select([selstr, selstrlist, verbose])	Return Atom or Atoms from selection command.
sort([key, reverse])
todict()	Return dict of constructor parameters.
update_attrs(**kwargs)	Call update_attrs method on each atom.