parameters: (self, number, bshash, role="BASIS")
docstring: Assigns BasisSet *bshash* to atom number *number* (0-indexed, excludes dummies).
docstring_summary: Assigns BasisSet *bshash* to atom number *number* (0-indexed, excludes dummies).
docstring_tokens: Assigns BasisSet * bshash * to atom number * number * ( 0 - indexed excludes dummies ) .
function: def set_shell_by_number(self, number, bshash, role="BASIS"):
          """Assigns BasisSet *bshash* to atom number *number* (0-indexed, excludes dummies)."""
          self.lock_frame = False
          if number >= self.natom():
              raise ValidationError("Molecule::set_shell_by_number: Basis specified for atom %d, but there are only %d atoms in this molecule." % \
                  (number, self.natom()))
          self.atoms[number].set_shell(bshash, role)
function_tokens: def set_shell_by_number ( self , number , bshash , role = "BASIS" ) : self . lock_frame = False if number >= self . natom ( ) : raise ValidationError ( "Molecule::set_shell_by_number: Basis specified for atom %d, but there are only %d atoms in this molecule." % ( number , self . natom ( ) ) ) self . atoms [ number ] . set_shell ( bshash , role )