package molenc

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in-package search v0.2.0

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Library
Module
Module type
Parameter
Class
Class type

module A = Array

module Fp = Fingerprint

module Ht = Hashtbl

module L = MyList

module LO = Line_oriented

type 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 : out_channel -> t -> unit

val molecules_of_file : LO.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