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mirror of https://gitlab.com/scemama/QCaml.git synced 2024-07-25 04:07:24 +02:00

Updated keys by removing zarith

This commit is contained in:
Anthony Scemama 2018-02-14 19:23:23 +01:00
parent c430ad24c9
commit 5161cd8226
3 changed files with 177 additions and 153 deletions

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@ -52,7 +52,7 @@ let contracted_class_shell_pairs ?schwartz_p ?schwartz_q shell_p shell_q : float
let cutoff2 = cutoff *. cutoff
(*
type n_cls = { n : int ; cls : Z.t array }
type n_cls = { n : int ; cls : Zkey.t array }
*)
exception NullIntegral

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@ -12,4 +12,4 @@ type kind =
| Quartet of (t*t*t*t)
val n_functions : t -> int
val zkey_array : kind -> Z.t array
val zkey_array : kind -> Zkey.t array

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@ -1,5 +1,4 @@
(** Key for hastables that contain tuples of integers encoded in a Zarith integer *)
type kind_array =
| Kind_3
| Kind_6
@ -9,41 +8,41 @@ type kind_array =
| Kind_2
| Kind_1
let (<|) x a =
Z.logor (Z.shift_left x 64) a
type t =
{
left : int ;
right : int ;
}
let (<<) x a =
Int64.logor (Int64.shift_left x 10) (Int64.of_int a)
let (<+) x a =
Int64.logor (Int64.shift_left x 16) (Int64.of_int a)
let of_int right =
{ left = 0 ; right }
let (<|) { left ; right } x =
{ left=right ; right=x }
let (<<) { left ; right } x =
{ left ; right = (right lsl 10) lor x }
let (<+) { left ; right } x =
{ left ; right = (right lsl 15) lor x }
(** Build a Zkey from an array or 1, 2, 3, 4, 6, 9, or 12 integers *)
let of_int_array ~kind a =
match kind with
| Kind_3 -> (Int64.of_int a.(0)) << a.(1) << a.(2) |> Z.of_int64
| Kind_6 -> (Int64.of_int a.(0)) << a.(1) << a.(2) << a.(3) << a.(4) << a.(5)
|> Z.of_int64
| Kind_12 ->
let a =
(Int64.of_int a.(0)) << a.(1) << a.(2) << a.(3) << a.(4) << a.(5)
|> Z.of_int64
and b =
(Int64.of_int a.(6)) << a.(7) << a.(8) << a.(9) << a.(10) << a.(11)
|> Z.of_int64
in a <| b
| Kind_3 -> of_int a.(0) <+ a.(1) <+ a.(2)
| Kind_6 -> of_int a.(0) << a.(1) << a.(2) << a.(3) << a.(4) << a.(5)
| Kind_12 ->
of_int a.(0) << a.(1) << a.(2) << a.(3) << a.(4) << a.(5)
<| a.(6) << a.(7) << a.(8) << a.(9) << a.(10) << a.(11)
| Kind_9 ->
let a =
(Int64.of_int a.(0)) << a.(1) << a.(2) << a.(3) << a.(4) << a.(5)
|> Z.of_int64
and b =
(Int64.of_int a.(6)) << a.(7) << a.(8)
|> Z.of_int64
in a <| b
| Kind_4 -> (Int64.of_int a.(0)) <+ a.(1) <+ a.(2) <+ a.(3) |> Z.of_int64
| Kind_2 -> (Int64.of_int a.(0)) <+ a.(1) |> Z.of_int64
| Kind_1 -> Z.of_int a.(0)
of_int a.(0) << a.(1) << a.(2) << a.(3) << a.(4) << a.(5)
<| a.(6) << a.(7) << a.(8)
| Kind_4 -> of_int a.(0) <+ a.(1) <+ a.(2) <+ a.(3)
| Kind_2 -> of_int a.(0) <+ a.(1)
| Kind_1 -> of_int a.(0)
type kind =
@ -57,149 +56,168 @@ type kind =
let of_int_tuple a =
match a with
| One (a) -> Z.of_int a
| Two (a,b) -> (Int64.of_int a) <+ b |> Z.of_int64
| Three (a,b,c) -> (Int64.of_int a) << b << c |> Z.of_int64
| Four ((a,b),(c,d)) ->
(Int64.of_int a) <+ b <+ c <+ d |> Z.of_int64
| One (a) -> of_int a
| Two (a,b) -> of_int a <+ b
| Three (a,b,c) -> of_int a <+ b <+ c
| Four ((a,b),(c,d)) -> of_int a <+ b <+ c <+ d
| Six ((a,b,c),(d,e,f)) ->
(Int64.of_int a) << b << c << d << e << f |> Z.of_int64
of_int a << b << c << d << e << f
| Twelve ((a,b,c),(d,e,f),(g,h,i),(j,k,l)) ->
let a =
(Int64.of_int a) << b << c << d << e << f |> Z.of_int64
and b =
(Int64.of_int g) << h << i << j << k << l |> Z.of_int64
in a <| b
of_int a << b << c << d << e << f
<| g << h << i << j << k << l
| Nine ((a,b,c),(d,e,f),(g,h,i)) ->
let a =
(Int64.of_int a) << b << c << d << e << f |> Z.of_int64
and b =
(Int64.of_int g) << h << i |> Z.of_int64
in a <| b
of_int a << b << c << d << e << f
<| g << h << i
let mask10 = Int64.of_int 0x3ff
and mask16 = Int64.of_int 0xffff
let mask10 = 0x3ff
and mask15 = 0x7fff
(** Transform the Zkey into an int array *)
let to_int_array ~kind a =
let open Int64 in
let to_int_array ~kind { left ; right } =
match kind with
| Kind_3 -> let x = Z.to_int64 a in
[| to_int ( logand mask10 (shift_right x 20)) ;
to_int ( logand mask10 (shift_right x 10)) ;
to_int ( logand mask10 x) |]
| Kind_6 -> let x = Z.to_int64 a in
[| to_int ( logand mask10 (shift_right x 50)) ;
to_int ( logand mask10 (shift_right x 40)) ;
to_int ( logand mask10 (shift_right x 30)) ;
to_int ( logand mask10 (shift_right x 20)) ;
to_int ( logand mask10 (shift_right x 10)) ;
to_int ( logand mask10 x) |]
| Kind_12 -> let x = Z.to_int64 @@ Z.extract a 0 60
and y = Z.to_int64 @@ Z.extract a 64 60
in
[| to_int ( logand mask10 (shift_right y 114)) ;
to_int ( logand mask10 (shift_right y 104)) ;
to_int ( logand mask10 (shift_right y 94)) ;
to_int ( logand mask10 (shift_right y 84)) ;
to_int ( logand mask10 (shift_right y 74)) ;
to_int ( logand mask10 (shift_right y 64)) ;
to_int ( logand mask10 (shift_right x 50)) ;
to_int ( logand mask10 (shift_right x 40)) ;
to_int ( logand mask10 (shift_right x 30)) ;
to_int ( logand mask10 (shift_right x 20)) ;
to_int ( logand mask10 (shift_right x 10)) ;
to_int ( logand mask10 x) |]
| Kind_9 -> let x = Z.to_int64 @@ Z.extract a 0 60
and y = Z.to_int64 @@ Z.extract a 64 60
in
[| to_int ( logand mask10 (shift_right y 84)) ;
to_int ( logand mask10 (shift_right y 74)) ;
to_int ( logand mask10 (shift_right y 64)) ;
to_int ( logand mask10 (shift_right x 50)) ;
to_int ( logand mask10 (shift_right x 40)) ;
to_int ( logand mask10 (shift_right x 30)) ;
to_int ( logand mask10 (shift_right x 20)) ;
to_int ( logand mask10 (shift_right x 10)) ;
to_int ( logand mask10 x) |]
| Kind_4 -> let x = Z.to_int64 a in
[| to_int ( logand mask16 (shift_right x 48)) ;
to_int ( logand mask16 (shift_right x 32)) ;
to_int ( logand mask16 (shift_right x 16)) ;
to_int ( logand mask16 x) |]
| Kind_2 -> let x = Z.to_int64 a in
[| to_int ( logand mask16 (shift_right x 16)) ;
to_int ( logand mask16 x) |]
| Kind_1 -> [| Z.to_int a |]
| Kind_3 -> [|
mask15 land (right lsr 30) ;
mask15 land (right lsr 15) ;
mask15 land right
|]
| Kind_6 -> [|
mask10 land (right lsr 50) ;
mask10 land (right lsr 40) ;
mask10 land (right lsr 30) ;
mask10 land (right lsr 20) ;
mask10 land (right lsr 10) ;
mask10 land right
|]
| Kind_12 -> [|
mask10 land (left lsr 50) ;
mask10 land (left lsr 40) ;
mask10 land (left lsr 30) ;
mask10 land (left lsr 20) ;
mask10 land (left lsr 10) ;
mask10 land left ;
mask10 land (right lsr 50) ;
mask10 land (right lsr 40) ;
mask10 land (right lsr 30) ;
mask10 land (right lsr 20) ;
mask10 land (right lsr 10) ;
mask10 land right
|]
| Kind_9 -> [|
mask10 land (left lsr 20) ;
mask10 land (left lsr 10) ;
mask10 land left ;
mask10 land (right lsr 50) ;
mask10 land (right lsr 40) ;
mask10 land (right lsr 30) ;
mask10 land (right lsr 20) ;
mask10 land (right lsr 10) ;
mask10 land right
|]
| Kind_4 -> [|
mask15 land (right lsr 45) ;
mask15 land (right lsr 30) ;
mask15 land (right lsr 15) ;
mask15 land right
|]
| Kind_2 -> [|
mask15 land (right lsr 15) ;
mask15 land right
|]
| Kind_1 -> [| right |]
(** Transform the Zkey into an int tuple *)
let to_int_tuple ~kind a =
let open Int64 in
let to_int_tuple ~kind { left ; right } =
match kind with
| Kind_3 -> let x = Z.to_int64 a in
Three ( to_int ( logand mask10 (shift_right x 20)),
to_int ( logand mask10 (shift_right x 10)),
to_int ( logand mask10 x) )
| Kind_6 -> let x = Z.to_int64 a in
Six ( ( to_int ( logand mask10 (shift_right x 50)),
to_int ( logand mask10 (shift_right x 40)),
to_int ( logand mask10 (shift_right x 30))),
( to_int ( logand mask10 (shift_right x 20)),
to_int ( logand mask10 (shift_right x 10)),
to_int ( logand mask10 x) ) )
| Kind_12 -> let x = Z.to_int64 @@ Z.extract a 0 60
and y = Z.to_int64 @@ Z.extract a 64 60
in
Twelve ( ( to_int ( logand mask10 (shift_right y 114)),
to_int ( logand mask10 (shift_right y 104)),
to_int ( logand mask10 (shift_right y 94))),
( to_int ( logand mask10 (shift_right y 84)),
to_int ( logand mask10 (shift_right y 74)),
to_int ( logand mask10 (shift_right y 64))),
( to_int ( logand mask10 (shift_right x 50)),
to_int ( logand mask10 (shift_right x 40)),
to_int ( logand mask10 (shift_right x 30))),
( to_int ( logand mask10 (shift_right x 20)),
to_int ( logand mask10 (shift_right x 10)),
to_int ( logand mask10 x) ))
| Kind_9 -> let x = Z.to_int64 @@ Z.extract a 0 60
and y = Z.to_int64 @@ Z.extract a 64 60
in
Nine ( ( to_int ( logand mask10 (shift_right y 84)),
to_int ( logand mask10 (shift_right y 74)),
to_int ( logand mask10 (shift_right y 64))),
( to_int ( logand mask10 (shift_right x 50)),
to_int ( logand mask10 (shift_right x 40)),
to_int ( logand mask10 (shift_right x 30))),
( to_int ( logand mask10 (shift_right x 20)),
to_int ( logand mask10 (shift_right x 10)),
to_int ( logand mask10 x) ))
| Kind_4 -> let x = Z.to_int64 a in
Four ( ( to_int ( logand mask16 (shift_right x 48)),
to_int ( logand mask16 (shift_right x 32))),
( to_int ( logand mask16 (shift_right x 16)),
to_int ( logand mask16 x) ))
| Kind_2 -> let x = Z.to_int64 a in
Two ( to_int ( logand mask16 (shift_right x 16)),
to_int ( logand mask16 x) )
| Kind_1 -> One ( Z.to_int a )
| Kind_3 -> Three (
mask15 land (right lsr 30) ,
mask15 land (right lsr 15) ,
mask15 land right
)
| Kind_6 -> Six (
( mask10 land (right lsr 50) ,
mask10 land (right lsr 40) ,
mask10 land (right lsr 30)),
( mask10 land (right lsr 20) ,
mask10 land (right lsr 10) ,
mask10 land right )
)
| Kind_12 -> Twelve (
( mask10 land (left lsr 50) ,
mask10 land (left lsr 40) ,
mask10 land (left lsr 30)),
( mask10 land (left lsr 20) ,
mask10 land (left lsr 10) ,
mask10 land left ) ,
( mask10 land (right lsr 50) ,
mask10 land (right lsr 40) ,
mask10 land (right lsr 30)),
( mask10 land (right lsr 20) ,
mask10 land (right lsr 10) ,
mask10 land right )
)
| Kind_9 -> Nine (
( mask10 land (left lsr 20) ,
mask10 land (left lsr 10) ,
mask10 land left ) ,
( mask10 land (right lsr 50) ,
mask10 land (right lsr 40) ,
mask10 land (right lsr 30)),
( mask10 land (right lsr 20) ,
mask10 land (right lsr 10) ,
mask10 land right )
)
| Kind_4 -> Four (
( mask15 land (right lsr 45) ,
mask15 land (right lsr 30)),
( mask15 land (right lsr 15) ,
mask15 land right )
)
| Kind_2 -> Two (
mask15 land (right lsr 15) ,
mask15 land right
)
| Kind_1 -> One right
let zero = Z.of_int 0
let hash = Hashtbl.hash
include Z
let equal
{ right = r1 ; left = l1 }
{ right = r2 ; left = l2 } =
r1 = r2 && l1 = l2
let to_string ~kind a =
"< " ^ ( Z.to_string a ) ^ " | " ^ (
to_int_array kind a
let cmp
{ right = r1 ; left = l1 }
{ right = r2 ; left = l2 } =
if r1 < r2 then -1
else if r1 > r2 then 1
else if l1 < l2 then -1
else if l1 > l2 then 1
else 0
let to_string ~kind { left ; right } =
"< " ^ string_of_int left ^ string_of_int right ^ " | " ^ (
to_int_array kind { left ; right }
|> Array.map string_of_int
|> Array.to_list
|> String.concat ", "
) ^ " >"
(*
let debug () =
let k2 = of_int_array Kind_2 [| 1 ; 2 |]
and k3 = of_int_array Kind_3 [| 1 ; 2 ; 3 |]
@ -213,6 +231,12 @@ let debug () =
print_endline @@ to_string Kind_6 k6 ;
print_endline @@ to_string Kind_12 k12
(*
< 65538 | 1, 2 >
< 1050627 | 1, 2, 3 >
< 281483566841860 | 1, 2, 3, 4 >
< 1128102155523078 | 1, 2, 3, 4, 5, 6 >
< 20809811751934310026571282435288076 | 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12 >
*)
let () = debug ()
*)