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60 lines
1.3 KiB
OCaml
60 lines
1.3 KiB
OCaml
(* Type
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*
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* #+NAME: types *)
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(* [[file:~/QCaml/common/coordinate.org::types][types]] *)
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type bohr
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type angstrom
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type xyz = {
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x : float ;
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y : float ;
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z : float ;
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}
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type 'a point = xyz
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type t = bohr point
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type axis = X | Y | Z
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(* types ends here *)
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(* Creation *)
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(* [[file:~/QCaml/common/coordinate.org::*Creation][Creation:1]] *)
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val make : 'a point -> t
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val make_angstrom : 'a point -> angstrom point
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val zero : bohr point
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(* Creation:1 ends here *)
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(* Conversion *)
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(* [[file:~/QCaml/common/coordinate.org::*Conversion][Conversion:1]] *)
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val bohr_to_angstrom : bohr point -> angstrom point
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val angstrom_to_bohr : angstrom point -> bohr point
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(* Conversion:1 ends here *)
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(* Vector operations *)
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(* [[file:~/QCaml/common/coordinate.org::*Vector%20operations][Vector operations:1]] *)
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val neg : t -> t
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val get : axis -> bohr point -> float
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val dot : t -> t -> float
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val norm : t -> float
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val ( |. ) : float -> t -> t
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val ( |+ ) : t -> t -> t
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val ( |- ) : t -> t -> t
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(* Vector operations:1 ends here *)
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(* Printers *)
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(* [[file:~/QCaml/common/coordinate.org::*Printers][Printers:1]] *)
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val pp : Format.formatter -> t -> unit
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val pp_bohr: Format.formatter -> t -> unit
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val pp_angstrom : Format.formatter -> t -> unit
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(* Printers:1 ends here *)
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