package lbvs_consent

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module Logger = Dolog.Log
module Log = Dolog.Log
module Cons = Consensus
module Fp = Fingerprint
module L = MyList
module Mol = Molecule
module Pol = Policy
module StringSet : sig ... end
module TopN = Top_keeper
module Utls = MyUtils
module SL : sig ... end
module BEDROC : sig ... end
module Vpt_point : sig ... end
module Vpt : sig ... end
val output_all_scores : int
val use_all_actives : int
val no_index : int
val no_label : bool
val no_tversky : float
type filename = string
val output_scores : filename -> Score_label.t list -> int -> unit
val compute_cumulated_activity : Score_label.t list -> Mol.t list -> float list
val compute_chemical_diversity : Score_label.t list -> (string, int) Stdlib.Hashtbl.t -> float list
val force_scaffolds_diversity : (string, int) Stdlib.Hashtbl.t -> Score_label.t list -> Score_label.t list
val output_float_curve : bool -> filename -> float list -> unit
val output_int_curve : bool -> filename -> int list -> unit
type cons_id = string
type name2cluster = (string, int) Stdlib.Hashtbl.t
type curve =
  1. | AUC of cons_id * float
  2. | PM of cons_id * float
  3. | BEDROC of cons_id * float
  4. | Accum_actives of cons_id * float list
  5. | Accum_activity of cons_id * Score_label.t list * Mol.t list
  6. | Chemical_diversity of cons_id * Score_label.t list * name2cluster
type merged_curve =
  1. | AUC of cons_id * float list
  2. | PM of cons_id * float list
  3. | BEDROC of cons_id * float list
  4. | Accum_actives of cons_id * float list
  5. | Accum_activity of cons_id * float list
  6. | Chemical_diversity of cons_id * float list
val get_cid : curve -> cons_id
val get_floats : curve -> float list
val is_accum_activity_curve : curve -> bool
val get_score_labels : curve list -> Score_label.t list option
val similar_curves : curve -> curve -> bool
val group_curves : curve list -> curve list list
val merge_curves : curve list -> merged_curve
val output_curves : string -> bool -> merged_curve list -> unit
val remove_queries_from_database : Cons.t -> Mol.t list -> Mol.t list
val single_query : Mol.t list -> Mol.t list -> (string, int) Stdlib.Hashtbl.t -> Cons.t -> curve list
val oppo_scorer : (Fp.t -> Fp.t -> float) -> (Mol.t -> unit) -> Fp.t list -> Mol.t -> Score_label.t
val index_queries : Fp.t list -> Vpt.t
val fast_oppo_scorer : (Mol.t -> unit) -> Vpt.t -> Mol.t -> Score_label.t
val cons_scorer : (Fp.t -> float) -> (Mol.t -> unit) -> Mol.t -> Score_label.t
val compute_score_labels : Mol.t list -> (string, int) Stdlib.Hashtbl.t -> Cons.t -> Score_label.t list
val rank_active_molecules : Score_label.t list -> (int * Score_label.t) list
val query : Mol.t list -> Mol.t list -> (string, int) Stdlib.Hashtbl.t -> Cons.t -> curve list
val pcons_query : Cons.t -> filename -> filename -> int -> int -> unit
val shuffle_then_cut : int -> 'a list -> 'b list
val split_then_shuffle : int -> Mol.t list -> Mol.t list
val random_choices : bool -> int -> int -> Mol.t list -> Mol.t list list
val scan_policies : int -> int -> Cons.Mol.t list -> Cons.t list
val create_cons_queries : bool -> int -> Pol.t -> int -> Cons.Mol.t list -> Cons.t list
val single_cons_query : bool -> int -> Pol.t -> Cons.Mol.t list -> Cons.t
val main : unit -> unit