(** Azimuthal quantum number, represented as s,p,d,... *) type t = S | P | D | F | G | H | I | J | K | L | M | N | O exception AngularMomentumError of string (** Raised when the {!AngularMomentum.t} element can't be created. *) val of_char : char -> t (** Returns an {!AngularMomentum.t} when a shell is given as a character (case insensitive). Example: [AngularMomentum.of_char 'p' -> AngularMomentum.P] *) val to_string : t -> string (** [AngularMomentum.(to_string D) -> "D"] *) val to_char : t -> char (** [AngularMomentum.(to_char D) -> 'D'] *) val to_int : t -> int (** Returns the l{_max} value of the shell. Example: [AngularMomentum.of_int 3 -> AngularMomentum.F] *) val of_int : int -> t (** Opposite of {!of_int}. Example: [AngularMomentum.of_int 3 -> AngularMomentum.F] *) type kind = Singlet of t | Doublet of (t * t) | Triplet of (t * t * t) | Quartet of (t * t * t * t) val n_functions : t -> int (** Number of cartesian functions in shell. Example: [AngularMomentum.n_functions D -> 6] *) val zkey_array : kind -> Zkey.t array (** Array of {!Zkey.t}, where each element is a a key associated with the the powers of x,y,z. Example: {[ AngularMomentum.( zkey_array Doublet (P,S) ) -> [| {Zkey.left = 0; right = 1125899906842624} ; {Zkey.left = 0; right = 1099511627776} ; {Zkey.left = 0; right = 1073741824} |] = let s,x,y,z = Powers.( of_int_tuple (0,0,0), of_int_tuple (1,0,0), of_int_tuple (0,1,0), of_int_tuple (0,0,1) ) in Array.map (fun (a,b) -> {!Zkey.of_powers_six} a b) [| (x,s) ; (y,s) ; (z,s) |] ]} *)