package molenc

You can search for identifiers within the package.

in-package search v0.2.0

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Class type

type t

val of_pyobject : Pytypes.pyobject -> t

val to_pyobject : t -> Pytypes.pyobject

val __init__ : smi:string -> unit -> t

val add_hydrogens : t -> unit -> t

val type_atom : t -> i:int -> unit -> int array

val type_EltFCaroNeighbs : t -> i:int -> unit -> int array

val type_atom_simple : t -> i:int -> unit -> int array

val daylight_type_heavy_atom : t -> i:int -> unit -> int array

val get_num_atoms : t -> unit -> int

val get_diameter : t -> unit -> int

val get_distance : t -> i:int -> j:int -> unit -> int

val get_distances : t -> i:int -> unit -> int array

val get_deep_smiles : 
  t ->
  seed:int ->
  n:int ->
  randomize:bool ->
  smi:string ->
  unit ->
  string array

val get_elements : t -> unit -> string array

val get_anums : t -> unit -> int array