package molenc

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module A = Stdlib.Array
module Fp = Fingerprint
module Ht = Stdlib.Hashtbl
module L = MyList
type t = {
  1. name : string;
  2. index : int;
  3. value : float;
  4. fp : Fp.t;
}
val create : string -> int -> float -> string -> t
val read_one_mol : string -> string * float * string
val parse_one : int -> string -> t
val to_string : t -> string
val to_out : Stdlib.out_channel -> t -> unit
val molecules_of_file : Utls.filename -> t list
val dist : t -> t -> float
val tani : t -> t -> float
val get_name : t -> string
val get_value : t -> float
val get_index : t -> int
val get_fp : t -> Fp.t
val nb_features : t -> int
val mol_is_active : string -> bool
val is_active : t -> bool
val drop_features : (Fp.IntMap.key, 'a) Fp.Ht.t -> t -> t
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