public static OrbitalDesignation TransformUnderSymmetry(OrbitalDesignation des, Matrix sym)
{
switch (des)
{
case OrbitalDesignation.s:
return(OrbitalDesignation.s);
case OrbitalDesignation.px: return(TransformP(sym[0, 0], sym[0, 1], sym[0, 2]));
case OrbitalDesignation.py: return(TransformP(sym[1, 0], sym[1, 1], sym[1, 2]));
case OrbitalDesignation.pz: return(TransformP(sym[2, 0], sym[2, 1], sym[2, 2]));
case OrbitalDesignation.dxy:
return(TransformT2g(sym, 0, 1));
case OrbitalDesignation.dxz:
return(TransformT2g(sym, 0, 2));
case OrbitalDesignation.dyz:
return(TransformT2g(sym, 1, 2));
case OrbitalDesignation.dz2:
return(TransformDz2(sym));
case OrbitalDesignation.dx2y2:
return(TransformDx2y2(sym));
}
return(OrbitalDesignation.none);
}
public static OrbitalDesignation TransformUnderSymmetry(OrbitalDesignation des, Matrix sym)
{
switch (des)
{
case OrbitalDesignation.s:
return OrbitalDesignation.s;
case OrbitalDesignation.px: return TransformP(sym[0, 0], sym[0, 1], sym[0, 2]);
case OrbitalDesignation.py: return TransformP(sym[1, 0], sym[1, 1], sym[1, 2]);
case OrbitalDesignation.pz: return TransformP(sym[2, 0], sym[2, 1], sym[2, 2]);
case OrbitalDesignation.dxy:
return TransformT2g(sym, 0, 1);
case OrbitalDesignation.dxz:
return TransformT2g(sym, 0, 2);
case OrbitalDesignation.dyz:
return TransformT2g(sym, 1, 2);
case OrbitalDesignation.dz2:
return TransformDz2(sym);
case OrbitalDesignation.dx2y2:
return TransformDx2y2(sym);
}
return OrbitalDesignation.none;
}
