Subscript a crystal Object

DESCRIPTION:

Allows the user to extract or replace parts of a crystal object by using crystal names or subscripts.

USAGE:

x[i] 
x[i, left=T, right=T] <- value 
x[[i]] 

REQUIRED ARGUMENTS:

x
an object of class wp.crystal, wp.inf.crystal, or cp.crystal.
i
a vector of crystal names, positive integers or logical flags. For [[, i must be an integer or a crystal name.

OPTIONAL ARGUMENTS:

value
replacement value for the relevant piece of the crystal object.
left
for assignment operator only, a logical flag indicating if the left boundary coefficients are to be set to zero.
right
for assignment operator only, a logical flag indicating if the right boundary coefficients are to be set to zero.

VALUE:

x[i] returns an object of class "wp.molecule" or "cp.molecule", inheriting from class "molecule"; x[[i]] returns an object of class "wp.atom" or "cp.atom".

DETAILS:

Special assignment operator is needed for wp.inf.crystal objects only. The default assignment operator is used for wp.crystal and cp.crystal objects.

SEE ALSO:

, , , , , , , , .