add searching by element name

This commit is contained in:
Peter McGoron 2021-08-13 19:18:26 -04:00
parent b70511f47b
commit 87f446b8c9
3 changed files with 139 additions and 2 deletions

2
dune
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@ -1,5 +1,5 @@
(executable
(name elements)
(modules Elements Makedb)
(modules Elements Makedb Elements_search)
(libraries sqlite3 yojson batch_jaro_winkler)
)

View File

@ -10,7 +10,7 @@ module Opts = struct
let jsonf = ref ""
(** Limit the amount of matches. *)
let maxmatch = ref 3
let maxmatch = ref 1
(** Lists to search. *)
@ -68,3 +68,6 @@ let _ = if !Opts.jsonf <> "" then
else
Yojson.Basic.from_file !Opts.jsonf
)
let () = if !Opts.match_name <> [] then
Elements_search.print_by_name db !Opts.maxmatch (List.rev !Opts.match_name)

134
elements_search.ml Normal file
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@ -0,0 +1,134 @@
type elem = {
num : int;
symb : string;
name : string;
mass : float option;
cpk_color : string option;
e_config : string option;
e_neg : float option;
rad : float option;
ionization_e : float option;
e_affinity : float option;
oxidation : string option;
state : string option;
melting : float option;
boiling : float option;
density : float option;
block : string option;
discovered : int option
}
let float_or_null stmt n = match (Sqlite3.column stmt n) with
| Sqlite3.Data.NULL -> None
| Sqlite3.Data.FLOAT x -> Some x
| _ -> raise (Failure (Printf.sprintf "Column %d has invalid type" n))
let string_or_null stmt n = match (Sqlite3.column stmt n) with
| Sqlite3.Data.NULL -> None
| Sqlite3.Data.TEXT x -> Some x
| _ -> raise (Failure (Printf.sprintf "Column %d has invalid type" n))
let int_or_null stmt n = match (Sqlite3.column stmt n) with
| Sqlite3.Data.NULL -> None
| Sqlite3.Data.INT x -> Some (Int64.to_int x)
| _ -> raise (Failure (Printf.sprintf "Column %d has invalid type" n))
let chk = function
| Sqlite3.Rc.ROW -> ()
| Sqlite3.Rc.OK -> ()
| _ -> raise (Failure "statement failure")
let get_model db typ =
let open Sqlite3
in let stmt = "SELECT dat FROM searchtable WHERE name = ?;"
|> prepare db
in
bind_text stmt 1 typ |> Rc.check;
step stmt |> chk;
let v = column_blob stmt 0
in
finalize stmt |> Rc.check;
Batch_jaro_winkler.build_runtime_model v
let search_model most model s =
let open Batch_jaro_winkler
in let encoding = Encoding.UTF8
in jaro_winkler_distance ~encoding ~n_best_results:most model s
let by_name n db s = search_model n (get_model db "name") s
let name_stmt db s =
let open Sqlite3
in let stmt = "SELECT \
num, symb, name, mass, cpk_color, e_config, e_neg, rad, \
ionization_e, e_affinity, oxidation, state, melting, \
boiling, density, block, discovered \
FROM elements WHERE name = ?;"
|> prepare db
in bind_text stmt 1 s |> Rc.check;
stmt
let get_elem_from_stmt stmt =
let open Sqlite3
in
step stmt |> chk; {
num = column_int stmt 0;
symb = column_text stmt 1;
name = column_text stmt 2;
mass = float_or_null stmt 3;
cpk_color = string_or_null stmt 4;
e_config = string_or_null stmt 5;
e_neg = float_or_null stmt 6;
rad = float_or_null stmt 7;
ionization_e = float_or_null stmt 8;
e_affinity = float_or_null stmt 9;
oxidation = string_or_null stmt 10;
state = string_or_null stmt 11;
melting = float_or_null stmt 12;
boiling = float_or_null stmt 13;
density = float_or_null stmt 14;
block = string_or_null stmt 15;
discovered = int_or_null stmt 16
}
let get_elem db s = name_stmt db s |> get_elem_from_stmt
let print_elem e =
let p_str name = Option.iter (fun x ->
Printf.printf "%s: %s\n" name x)
in let p_flt name = Option.iter (fun x ->
Printf.printf "%s: %f\n" name x)
in let p_int name = Option.iter (fun x ->
Printf.printf "%s: %d\n" name x)
in Printf.printf "'%s' -- '%s' -- '%d'\n" e.name e.symb e.num;
p_flt "Standard Atomic Mass" e.mass;
p_str "CPK Color" e.cpk_color;
p_str "Electron Configuration" e.e_config;
p_flt "Electronegativity (Pauling)" e.e_neg;
p_flt "Van der Walls (pm)" e.rad;
p_flt "Ionization Energy (eV)" e.ionization_e;
p_flt "Electron Affinity (eV)" e.e_affinity;
p_str "Oxidation States" e.oxidation;
p_str "Standard State" e.state;
p_flt "Melting Point (K)" e.melting;
p_flt "Boiling Point (K)" e.boiling;
p_flt "Density (g/cm³)" e.density;
p_str "Block" e.block;
p_int "Year Discovered" e.discovered;
print_newline()
let print_by_name db most l =
let serc = by_name (Some most) db
in let on_match v = (match serc (String.lowercase_ascii v) with
| [] -> Printf.printf "No matches found for '%s'\n" v;
| (m,p)::[] -> if m <> v then
Printf.printf
"Best match '%s' for '%s' (%.0f%%)\n"
m v (p *. 100.0);
get_elem db m |> print_elem
| l ->
Printf.printf "Matches for '%s'\n" v;
List.iter (fun (a,b) -> Printf.printf "%f -- %s\n" b a)
(List.rev l)
)
in List.iter on_match l