- getElement ()
-
Returns the element object for an atom.
- getCoordinates ()
-
Returns a tupel with the x, y, and z coordinates and the name of an atom.
- 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
Sun Dec 10 17:38:35 MET 2000