- getElement()
-
Returns the
element
object for an atom.
- coordinates([x, y, z])
-
Sets or returns the Cartesian coordinates for an atom. If x, y,
and z are given as doubles the Cartesian coordinates are set to x,
y, and z. Otherwise a tupel with the x, y, and z coordinates and
the name of an atom is returned.
- radius([rad])
-
Sets or returns the Van der Waals radius for an atom. If rad is given
it has to be a double. The Van der Waals radius is measured in Ångstrøms.
- radiusScaleFactor([scaleFactor])
-
Sets or returns the scale factor for the radius of an atom. If scaleFactor
is given it has to be a double. The scale factor must be greater than or equal
zero.
- neutronScatteringFactor([factor])
-
Sets or returns the neutron scattering factor for an atom. If factor is
given it has to be a double. The neutron scattering factor must be greater than
or equal zero.
- name([name])
-
Sets or returns the name of an atom. If name is given it has to be a
string. The maximum length of the string is eight characters.
- replace(elementSymbol)
-
Replaces the atom with an atom of element elementSymbol. elementSymbol
has to be a string and a valid element symbol.
- delete()
-
Deletes this atom. Note: Atoms cannot be deleted using Python's
del
operator
since Python works on VIEWMOL's data structures.
Jörg-Rüdiger Hill Fri Oct 31 14:19:21 CET 2003