# Copyright 2008 Nanorex, Inc. See LICENSE file for details. """ elements_data_other.py -- data for miscellaneous kinds of elements which are neither chemical nor PAM pseudoatoms (for example, virtual site indicators) @author: Bruce @version: $Id$ @copyright: 2008 Nanorex, Inc. See LICENSE file for details. See also: the "handle" Ah5, which is defined as a PAM5 pseudoelement for code-convenience reasons. """ ## from model.elements_data import tetra4, flat, tetra2, onebond _DIRECTIONAL_BOND_ELEMENTS_OTHER = () # == _defaultRadiusAndColor = { "Vs0" : (1.0, [0.8, 0.8, 0.8]), #bruce 080515 guess, "very light gray" } _alternateRadiusAndColor = { } # Format of _mendeleev: see elements_data.py _mendeleev = [ # For indicators of virtual sites. # (We might add more, whose element names correspond to # virtual site pattern names, but which have the same role value.) ("Vs0", "virtual-site", 400, 1.0, None, dict(role = 'virtual-site')), ] # symb hybridization FC need prov c-rad geometry _otherAtomTypeData = [ ["Vs0", None, 0, 0, 0, 0.00, None], ] # == def init_other_elements( periodicTable): periodicTable.addElements( _mendeleev, _defaultRadiusAndColor, _alternateRadiusAndColor, _otherAtomTypeData, _DIRECTIONAL_BOND_ELEMENTS_OTHER, default_options = dict() ) return # end