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53 lines
1.4 KiB
OCaml
53 lines
1.4 KiB
OCaml
(* Type
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*
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* #+NAME: types *)
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(* [[file:~/QCaml/particles/element.org::types][types]] *)
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type t =
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|X
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|H |He
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|Li|Be |B |C |N |O |F |Ne
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|Na|Mg |Al|Si|P |S |Cl|Ar
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|K |Ca|Sc|Ti|V |Cr|Mn|Fe|Co|Ni|Cu|Zn|Ga|Ge|As|Se|Br|Kr
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|Rb|Sr|Y |Zr|Nb|Mo|Tc|Ru|Rh|Pd|Ag|Cd|In|Sn|Sb|Te|I |Xe
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|Pt
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exception ElementError of string
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open Common
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(* types ends here *)
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(* Conversion *)
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(* [[file:~/QCaml/particles/element.org::*Conversion][Conversion:1]] *)
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val of_string : string -> t
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val to_string : t -> string
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val to_long_string : t -> string
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val to_int : t -> int
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val of_int : int -> t
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val to_charge : t -> Charge.t
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val of_charge : Charge.t -> t
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(* Conversion:1 ends here *)
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(* Database information *)
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(* [[file:~/QCaml/particles/element.org::*Database information][Database information:1]] *)
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val covalent_radius : t -> Non_negative_float.t
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val vdw_radius : t -> Non_negative_float.t
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val mass : t -> Mass.t
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val small_core : t -> int
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val large_core : t -> int
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(* Database information:1 ends here *)
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(* Printers *)
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(* [[file:~/QCaml/particles/element.org::*Printers][Printers:1]] *)
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val pp : Format.formatter -> t -> unit
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val pp_long : Format.formatter -> t -> unit
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(* Printers:1 ends here *)
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