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11 lines
304 B
OCaml
11 lines
304 B
OCaml
exception AtomError of string
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type t = { element : Element.t; charge : Charge.t; coord : Point3d.t; }
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val t_of_sexp : Sexplib.Sexp.t -> t
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val sexp_of_t : t -> Sexplib.Sexp.t
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val of_string : units:Units.units -> string -> t
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val to_string : units:Units.units -> t -> string
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val to_xyz : t -> string
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