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mirror of https://gitlab.com/scemama/QCaml.git synced 2024-11-13 17:43:41 +01:00

Cleaned examples

This commit is contained in:
Anthony Scemama 2020-12-29 01:08:37 +01:00
parent f23fbe8006
commit aa40a995b2
14 changed files with 255 additions and 221 deletions

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@ -14,7 +14,7 @@ fi
DIR=${1%/}
cat << EOF > ${PWD}/tmpfile
cat << EOF > ${PWD}/tmpfile_$DIR
(package-initialize)
(add-to-list 'package-archives
'("gnu" . "https://elpa.gnu.org/packages/"))
@ -92,10 +92,10 @@ cd $DIR
for i in *.org
do
echo "--- $i ----"
emacs --batch ./$i --load=../tmpfile
emacs --batch ./$i --load=../tmpfile_$DIR
done
rm ../tmpfile
rm ../tmpfile_$DIR

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@ -66,13 +66,13 @@ val to_string : t -> string
#+begin_example
Angular_momentum.of_char 'p';;
- : Angular_momentum.t = Qcaml.Common.Angular_momentum.P
- : Angular_momentum.t = P
Angular_momentum.(to_char P);;
- : char = 'P'
Angular_momentum.of_int 2;;
- : Angular_momentum.t = Qcaml.Common.Angular_momentum.D
- : Angular_momentum.t = D
Angular_momentum.(to_int D);;
- : int = 2
@ -147,11 +147,10 @@ Angular_momentum.(n_functions D) ;;
- : int = 6
Angular_momentum.( zkey_array (Doublet (P,S)) );;
- : Zkey.t array =
[| {Zkey.left = 0; right = 1125899906842624} ;
{Zkey.left = 0; right = 1099511627776} ;
{Zkey.left = 0; right = 1073741824} |]
- : Zkey.t array =
[|< 01125899906842624 | 1, 0, 0, 0, 0, 0 >;
< 01099511627776 | 0, 1, 0, 0, 0, 0 >;
< 01073741824 | 0, 0, 1, 0, 0, 0 >|]
#+end_example
#+begin_src ocaml :tangle (eval ml) :exports none
@ -248,10 +247,10 @@ val ( - ) : t -> t -> t
#+begin_example
Angular_momentum.(D + P);;
- : Angular_momentum.t = Qcaml.Common.Angular_momentum.F
- : Angular_momentum.t = F
Angular_momentum.(F - P);;
- : Angular_momentum.t = Qcaml.Common.Angular_momentum.D
- : Angular_momentum.t = D
#+end_example
#+begin_src ocaml :tangle (eval ml) :exports none

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@ -176,95 +176,89 @@ val permutations : int -> int -> t list
#+begin_src ocaml :tangle (eval ml) :exports none
let of_int x =
One (One.of_int x)
#+end_src
#+begin_src ocaml :tangle (eval test-ml) :exports none
check_bool "of_x" true (one_x = (of_int x));
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let of_z x =
if Z.numbits x < 64 then One (Z.to_int x) else Many (Many.of_z x)
#+end_src
#+begin_src ocaml :tangle (eval test-ml) :exports none
check_bool "of_x" true (one_x = (of_int x));
check_bool "of_z" true (one_x = (of_z (Z.of_int x)));
#+end_src
#+begin_example
Bitstring.of_int 15;;
- : Bitstring.t =
++++------------------------------------------------------------
#+end_example
#+begin_src ocaml :tangle (eval ml) :exports none
let zero = function
| n when n < 64 -> One (One.zero)
| _ -> Many (Many.zero)
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let numbits = function
| One x -> One.numbits x
| Many x -> Many.numbits x
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let is_zero = function
| One x -> One.is_zero x
| Many x -> Many.is_zero x
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let neg = function
| One x -> One (One.neg x)
| Many x -> Many (Many.neg x)
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let shift_left x i = match x with
| One x -> One (One.shift_left x i)
| Many x -> Many (Many.shift_left x i)
#+end_src
#+begin_src ocaml :tangle (eval test-ml) :exports none
check_bool "shift_left1" true (of_int (x lsl 3) = shift_left one_x 3);
check_bool "shift_left2" true (of_z (Z.shift_left z 3) = shift_left many_x 3);
check_bool "shift_left3" true (of_z (Z.shift_left z 100) = shift_left many_x 100);
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let shift_right x i = match x with
| One x -> One (One.shift_right x i)
| Many x -> Many (Many.shift_right x i)
#+end_src
#+begin_src ocaml :tangle (eval test-ml) :exports none
check_bool "shift_right1" true (of_int (x lsr 3) = shift_right one_x 3);
check_bool "shift_right2" true (of_z (Z.shift_right z 3) = shift_right many_x 3);
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let shift_left_one = function
| n when n < 64 -> fun i -> One (One.shift_left_one i)
| _ -> fun i -> Many (Many.shift_left_one i)
#+end_src
#+begin_src ocaml :tangle (eval test-ml) :exports none
check_bool "shift_left_one1" true (of_int (1 lsl 3) = shift_left_one 4 3);
check_bool "shift_left_one2" true (of_z (Z.shift_left Z.one 200) = shift_left_one 300 200);
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let testbit = function
| One x -> One.testbit x
| Many x -> Many.testbit x
#+end_src
#+begin_example
Bitstring.(shift_left (of_int 15) 2);;
- : Bitstring.t =
--++++----------------------------------------------------------
Bitstring.(shift_right (of_int 15) 2);;
- : Bitstring.t =
++--------------------------------------------------------------
Bitstring.shift_left_one 32 4;;
- : Bitstring.t =
----+-----------------------------------------------------------
Bitstring.(testbit (of_int 15) 3);;
- : bool = true
Bitstring.(testbit (of_int 15) 4);;
- : bool = false
#+end_example
#+begin_src ocaml :tangle (eval test-ml) :exports none
check_bool "shift_left1" true (of_int (x lsl 3) = shift_left one_x 3);
check_bool "shift_left2" true (of_z (Z.shift_left z 3) = shift_left many_x 3);
check_bool "shift_left3" true (of_z (Z.shift_left z 100) = shift_left many_x 100);
check_bool "shift_right1" true (of_int (x lsr 3) = shift_right one_x 3);
check_bool "shift_right2" true (of_z (Z.shift_right z 3) = shift_right many_x 3);
check_bool "shift_left_one1" true (of_int (1 lsl 3) = shift_left_one 4 3);
check_bool "shift_left_one2" true (of_z (Z.shift_left Z.one 200) = shift_left_one 300 200);
check_bool "testbit1" true (testbit (of_int 8) 3);
check_bool "testbit2" false (testbit (of_int 8) 2);
check_bool "testbit3" false (testbit (of_int 8) 4);
@ -280,44 +274,22 @@ let logor a b =
| One a, One b -> One (One.logor a b)
| Many a, Many b -> Many (Many.logor a b)
| _ -> invalid_arg "Bitstring.logor"
#+end_src
#+begin_src ocaml :tangle (eval test-ml) :exports none
check_bool "logor1" true (of_int (1 lor 2) = logor (of_int 1) (of_int 2));
check_bool "logor2" true (of_z (Z.of_int (1 lor 2)) = logor (of_z Z.one) (of_z (Z.of_int 2)));
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let logxor a b =
match a,b with
| One a, One b -> One (One.logxor a b)
| Many a, Many b -> Many (Many.logxor a b)
| _ -> invalid_arg "Bitstring.logxor"
#+end_src
#+begin_src ocaml :tangle (eval test-ml) :exports none
check_bool "logxor1" true (of_int (1 lxor 2) = logxor (of_int 1) (of_int 2));
check_bool "logxor2" true (of_z (Z.of_int (1 lxor 2)) = logxor (of_z Z.one) (of_z (Z.of_int 2)));
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let logand a b =
match a,b with
| One a, One b -> One (One.logand a b)
| Many a, Many b -> Many (Many.logand a b)
| _ -> invalid_arg "Bitstring.logand"
#+end_src
#+begin_src ocaml :tangle (eval test-ml) :exports none
check_bool "logand1" true (of_int (1 land 3) = logand (of_int 1) (of_int 3));
check_bool "logand2" true (of_z (Z.of_int (1 land 3)) = logand (of_z Z.one) (of_z (Z.of_int 3)));
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let lognot = function
| One x -> One (One.lognot x)
| Many x -> Many (Many.lognot x)
@ -325,42 +297,65 @@ let lognot = function
#+begin_example
minus_one (of_int 10) = of_int 9
Bitstring.(logor (of_int 15) (of_int 73));;
- : Bitstring.t =
++++--+---------------------------------------------------------
Bitstring.(logand (of_int 15) (of_int 10));;
- : Bitstring.t =
-+-+------------------------------------------------------------
Bitstring.(logxor (of_int 15) (of_int 73));;
- : Bitstring.t =
-++---+---------------------------------------------------------
#+end_example
#+begin_src ocaml :tangle (eval test-ml) :exports none
check_bool "logor1" true (of_int (1 lor 2) = logor (of_int 1) (of_int 2));
check_bool "logor2" true (of_z (Z.of_int (1 lor 2)) = logor (of_z Z.one) (of_z (Z.of_int 2)));
check_bool "logxor1" true (of_int (1 lxor 2) = logxor (of_int 1) (of_int 2));
check_bool "logxor2" true (of_z (Z.of_int (1 lxor 2)) = logxor (of_z Z.one) (of_z (Z.of_int 2)));
check_bool "logand1" true (of_int (1 land 3) = logand (of_int 1) (of_int 3));
check_bool "logand2" true (of_z (Z.of_int (1 land 3)) = logand (of_z Z.one) (of_z (Z.of_int 3)));
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let minus_one = function
| One x -> One (One.minus_one x)
| Many x -> Many (Many.minus_one x)
#+end_src
#+begin_example
plus_one (of_int 10) = of_int 11
#+end_example
#+begin_src ocaml :tangle (eval ml) :exports none
let plus_one = function
| One x -> One (One.plus_one x)
| Many x -> Many (Many.plus_one x)
#+end_src
#+begin_example
Bitstring.(plus_one (of_int 15));;
- : Bitstring.t =
----+-----------------------------------------------------------
Bitstring.(minus_one (of_int 15));;
- : Bitstring.t =
-+++------------------------------------------------------------
#+end_example
#+begin_src ocaml :tangle (eval ml) :exports none
let trailing_zeros = function
| One x -> One.trailing_zeros x
| Many x -> Many.trailing_zeros x
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let hamdist a b = match a, b with
| One a, One b -> One.hamdist a b
| Many a, Many b -> Many.hamdist a b
| _ -> invalid_arg "Bitstring.hamdist"
#+end_src
#+begin_src ocaml :tangle (eval ml) :exports none
let popcount = function
| One x -> One.popcount x
| Many x -> Many.popcount x
@ -368,8 +363,14 @@ let popcount = function
#+begin_example
Bitstring.to_list (of_int 5);;
- : int list = [1; 3]
Bitstring.(trailing_zeros (of_int 12));;
- : int = 2
Bitstring.(hamdist (of_int 15) (of_int 73));;
- : int = 3
Bitstring.(popcount (of_int 15));;
- : int = 4
#+end_example
#+begin_src ocaml :tangle (eval ml) :exports none
@ -387,15 +388,8 @@ check_bool "to_list" true ([ 1 ; 3 ; 4 ; 6 ] = (to_list (of_int 45)));
#+end_src
#+begin_example
Bitstring.permutations 2 4
|> List.map (fun x -> Format.asprintf "%a" Bitstring.pp x) ;;
- : string list =
["++--------------------------------------------------------------";
"+-+-------------------------------------------------------------";
"-++-------------------------------------------------------------";
"+--+------------------------------------------------------------";
"-+-+------------------------------------------------------------";
"--++------------------------------------------------------------"]
Bitstring.(to_list (of_int 45));;
- : int list = [1; 3; 4; 6]
#+end_example
#+begin_src ocaml :tangle (eval ml) :exports none
@ -418,6 +412,17 @@ let permutations m n =
aux (Util.binom n m) (minus_one (shift_left_one n m)) []
#+end_src
#+begin_example
Bitstring.permutations 2 4;;
- : Bitstring.t list =
[++--------------------------------------------------------------;
+-+-------------------------------------------------------------;
-++-------------------------------------------------------------;
+--+------------------------------------------------------------;
-+-+------------------------------------------------------------;
--++------------------------------------------------------------]
#+end_example
#+begin_src ocaml :tangle (eval test-ml) :exports none
check "permutations"
(permutations 2 4 = List.map of_int

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@ -111,7 +111,7 @@ val ( |- ) : t -> t -> t
#+begin_example
Coordinate.neg { x=1. ; y=2. ; z=3. } ;;
- : Coordinate.t = {Qcaml.Common.Coordinate.x = -1.; y = -2.; z = -3.}
- : Coordinate.t = -1.0000 -2.0000 -3.0000
Coordinate.(get Y { x=1. ; y=2. ; z=3. }) ;;
- : float = 2.
@ -119,17 +119,17 @@ Coordinate.(get Y { x=1. ; y=2. ; z=3. }) ;;
Coordinate.(
2. |. { x=1. ; y=2. ; z=3. }
) ;;
- : Coordinate.t = {Qcaml.Common.Coordinate.x = 2.; y = 4.; z = 6.}
- : Coordinate.t = 2.0000 4.0000 6.0000
Coordinate.(
{ x=1. ; y=2. ; z=3. } |+ { x=2. ; y=3. ; z=1. }
);;
- : Coordinate.t = {Qcaml.Common.Coordinate.x = 3.; y = 5.; z = 4.}
- : Coordinate.t = 3.0000 5.0000 4.0000
Coordinate.(
{ x=1. ; y=2. ; z=3. } |- { x=2. ; y=3. ; z=1. }
);;
- : Coordinate.t = {Qcaml.Common.Coordinate.x = -1.; y = -1.; z = 2.}
- : Coordinate.t = -1.0000 -1.0000 2.0000
#+end_example

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@ -33,13 +33,13 @@ open Powers
*
* #+begin_example
* Angular_momentum.of_char 'p';;
* - : Angular_momentum.t = Qcaml.Common.Angular_momentum.P
* - : Angular_momentum.t = P
*
* Angular_momentum.(to_char P);;
* - : char = 'P'
*
* Angular_momentum.of_int 2;;
* - : Angular_momentum.t = Qcaml.Common.Angular_momentum.D
* - : Angular_momentum.t = D
*
* Angular_momentum.(to_int D);;
* - : int = 2
@ -110,11 +110,10 @@ let of_int = function
* - : int = 6
*
* Angular_momentum.( zkey_array (Doublet (P,S)) );;
* - : Zkey.t array =
* [| {Zkey.left = 0; right = 1125899906842624} ;
* {Zkey.left = 0; right = 1099511627776} ;
* {Zkey.left = 0; right = 1073741824} |]
*
* - : Zkey.t array =
* [|< 01125899906842624 | 1, 0, 0, 0, 0, 0 >;
* < 01099511627776 | 0, 1, 0, 0, 0, 0 >;
* < 01073741824 | 0, 0, 1, 0, 0, 0 >|]
* #+end_example *)
@ -207,10 +206,10 @@ let zkey_array a =
(* #+begin_example
* Angular_momentum.(D + P);;
* - : Angular_momentum.t = Qcaml.Common.Angular_momentum.F
* - : Angular_momentum.t = F
*
* Angular_momentum.(F - P);;
* - : Angular_momentum.t = Qcaml.Common.Angular_momentum.D
* - : Angular_momentum.t = D
* #+end_example *)

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@ -107,147 +107,145 @@ type t =
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:2]] *)
let of_int x =
One (One.of_int x)
(* General implementation:2 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:4]] *)
let of_z x =
if Z.numbits x < 64 then One (Z.to_int x) else Many (Many.of_z x)
(* General implementation:4 ends here *)
(* General implementation:2 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:6]] *)
(* #+begin_example
* Bitstring.of_int 15;;
* - : Bitstring.t =
* ++++------------------------------------------------------------
* #+end_example *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:4]] *)
let zero = function
| n when n < 64 -> One (One.zero)
| _ -> Many (Many.zero)
(* General implementation:6 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:7]] *)
let numbits = function
| One x -> One.numbits x
| Many x -> Many.numbits x
(* General implementation:7 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:8]] *)
let is_zero = function
| One x -> One.is_zero x
| Many x -> Many.is_zero x
(* General implementation:8 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:9]] *)
let neg = function
| One x -> One (One.neg x)
| Many x -> Many (Many.neg x)
(* General implementation:9 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:10]] *)
let shift_left x i = match x with
| One x -> One (One.shift_left x i)
| Many x -> Many (Many.shift_left x i)
(* General implementation:10 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:12]] *)
let shift_right x i = match x with
| One x -> One (One.shift_right x i)
| Many x -> Many (Many.shift_right x i)
(* General implementation:12 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:14]] *)
let shift_left_one = function
| n when n < 64 -> fun i -> One (One.shift_left_one i)
| _ -> fun i -> Many (Many.shift_left_one i)
(* General implementation:14 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:16]] *)
let testbit = function
| One x -> One.testbit x
| Many x -> Many.testbit x
(* General implementation:16 ends here *)
(* General implementation:4 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:18]] *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:6]] *)
let logor a b =
match a,b with
| One a, One b -> One (One.logor a b)
| Many a, Many b -> Many (Many.logor a b)
| _ -> invalid_arg "Bitstring.logor"
(* General implementation:18 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:20]] *)
let logxor a b =
match a,b with
| One a, One b -> One (One.logxor a b)
| Many a, Many b -> Many (Many.logxor a b)
| _ -> invalid_arg "Bitstring.logxor"
(* General implementation:20 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:22]] *)
let logand a b =
match a,b with
| One a, One b -> One (One.logand a b)
| Many a, Many b -> Many (Many.logand a b)
| _ -> invalid_arg "Bitstring.logand"
(* General implementation:22 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:24]] *)
let lognot = function
| One x -> One (One.lognot x)
| Many x -> Many (Many.lognot x)
(* General implementation:24 ends here *)
(* General implementation:6 ends here *)
(* #+begin_example
* minus_one (of_int 10) = of_int 9
* #+end_example *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:25]] *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:8]] *)
let minus_one = function
| One x -> One (One.minus_one x)
| Many x -> Many (Many.minus_one x)
(* General implementation:25 ends here *)
let plus_one = function
| One x -> One (One.plus_one x)
| Many x -> Many (Many.plus_one x)
(* General implementation:8 ends here *)
(* #+begin_example
* plus_one (of_int 10) = of_int 11
* Bitstring.(plus_one (of_int 15));;
* - : Bitstring.t =
* ----+-----------------------------------------------------------
*
* Bitstring.(minus_one (of_int 15));;
* - : Bitstring.t =
* -+++------------------------------------------------------------
* #+end_example *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:26]] *)
let plus_one = function
| One x -> One (One.plus_one x)
| Many x -> Many (Many.plus_one x)
(* General implementation:26 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:27]] *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:9]] *)
let trailing_zeros = function
| One x -> One.trailing_zeros x
| Many x -> Many.trailing_zeros x
(* General implementation:27 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:28]] *)
let hamdist a b = match a, b with
| One a, One b -> One.hamdist a b
| Many a, Many b -> Many.hamdist a b
| _ -> invalid_arg "Bitstring.hamdist"
(* General implementation:28 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:29]] *)
let popcount = function
| One x -> One.popcount x
| Many x -> Many.popcount x
(* General implementation:29 ends here *)
(* General implementation:9 ends here *)
(* #+begin_example
* Bitstring.to_list (of_int 5);;
* - : int list = [1; 3]
* Bitstring.(trailing_zeros (of_int 12));;
* - : int = 2
*
* Bitstring.(hamdist (of_int 15) (of_int 73));;
* - : int = 3
*
* Bitstring.(popcount (of_int 15));;
* - : int = 4
* #+end_example *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:30]] *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:10]] *)
let rec to_list ?(accu=[]) = function
| t when (is_zero t) -> List.rev accu
| t -> let newlist =
@ -255,24 +253,17 @@ let rec to_list ?(accu=[]) = function
in
logand t @@ minus_one t
|> (to_list [@tailcall]) ~accu:newlist
(* General implementation:30 ends here *)
(* General implementation:10 ends here *)
(* #+begin_example
* Bitstring.permutations 2 4
* |> List.map (fun x -> Format.asprintf "%a" Bitstring.pp x) ;;
* - : string list =
* ["++--------------------------------------------------------------";
* "+-+-------------------------------------------------------------";
* "-++-------------------------------------------------------------";
* "+--+------------------------------------------------------------";
* "-+-+------------------------------------------------------------";
* "--++------------------------------------------------------------"]
* Bitstring.(to_list (of_int 45));;
* - : int list = [1; 3; 4; 6]
* #+end_example *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:32]] *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:12]] *)
let permutations m n =
let rec aux k u rest =
@ -290,7 +281,7 @@ let permutations m n =
(aux [@tailcall]) (k-1) (logor t' t'') (u :: rest)
in
aux (Util.binom n m) (minus_one (shift_left_one n m)) []
(* General implementation:32 ends here *)
(* General implementation:12 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*Printers][Printers:2]] *)
let pp ppf = function

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@ -63,7 +63,7 @@ let angstrom_to_bohr { x ; y ; z } =
*
* #+begin_example
* Coordinate.neg { x=1. ; y=2. ; z=3. } ;;
* - : Coordinate.t = {Qcaml.Common.Coordinate.x = -1.; y = -2.; z = -3.}
* - : Coordinate.t = -1.0000 -2.0000 -3.0000
*
* Coordinate.(get Y { x=1. ; y=2. ; z=3. }) ;;
* - : float = 2.
@ -71,17 +71,17 @@ let angstrom_to_bohr { x ; y ; z } =
* Coordinate.(
* 2. |. { x=1. ; y=2. ; z=3. }
* ) ;;
* - : Coordinate.t = {Qcaml.Common.Coordinate.x = 2.; y = 4.; z = 6.}
* - : Coordinate.t = 2.0000 4.0000 6.0000
*
* Coordinate.(
* { x=1. ; y=2. ; z=3. } |+ { x=2. ; y=3. ; z=1. }
* );;
* - : Coordinate.t = {Qcaml.Common.Coordinate.x = 3.; y = 5.; z = 4.}
* - : Coordinate.t = 3.0000 5.0000 4.0000
*
* Coordinate.(
* { x=1. ; y=2. ; z=3. } |- { x=2. ; y=3. ; z=1. }
* );;
* - : Coordinate.t = {Qcaml.Common.Coordinate.x = -1.; y = -1.; z = 2.}
* - : Coordinate.t = -1.0000 -1.0000 2.0000
* #+end_example *)

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@ -16,7 +16,7 @@ type t = {
(* #+begin_example
* Powers.of_int_tuple (2,3,1);;
* - : Powers.t = {Qcaml.Common.Powers.x = 2; y = 3; z = 1; tot = 6}
* - : Powers.t = x^2 + y^3 + z^1
*
* Powers.(to_int_tuple (of_int_tuple (2,3,1)));;
* - : int * int * int = (2, 3, 1)
@ -51,10 +51,10 @@ let to_int_tuple { x ; y ; z ; _ } = (x,y,z)
* - : int = 3
*
* Powers.incr Coordinate.Y (Powers.of_int_tuple (2,3,1));;
* - : Powers.t = {Qcaml.Common.Powers.x = 2; y = 4; z = 1; tot = 7}
* - : Powers.t = x^2 + y^4 + z^1
*
* Powers.decr Coordinate.Y (Powers.of_int_tuple (2,3,1));;
* - : Powers.t = {Qcaml.Common.Powers.x = 2; y = 2; z = 1; tot = 5}
* - : Powers.t = x^2 + y^2 + z^1
* #+end_example *)

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@ -47,7 +47,7 @@ val to_int_tuple : t -> int * int * int
#+begin_example
Powers.of_int_tuple (2,3,1);;
- : Powers.t = {Qcaml.Common.Powers.x = 2; y = 3; z = 1; tot = 6}
- : Powers.t = x^2 + y^3 + z^1
Powers.(to_int_tuple (of_int_tuple (2,3,1)));;
- : int * int * int = (2, 3, 1)
@ -87,10 +87,10 @@ Powers.get Coordinate.Y (Powers.of_int_tuple (2,3,1));;
- : int = 3
Powers.incr Coordinate.Y (Powers.of_int_tuple (2,3,1));;
- : Powers.t = {Qcaml.Common.Powers.x = 2; y = 4; z = 1; tot = 7}
- : Powers.t = x^2 + y^4 + z^1
Powers.decr Coordinate.Y (Powers.of_int_tuple (2,3,1));;
- : Powers.t = {Qcaml.Common.Powers.x = 2; y = 2; z = 1; tot = 5}
- : Powers.t = x^2 + y^2 + z^1
#+end_example

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@ -14,61 +14,99 @@ let test_all () =
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:3]] *)
check_bool "of_x" true (one_x = (of_int x));
check_bool "of_z" true (one_x = (of_z (Z.of_int x)));
(* General implementation:3 ends here *)
(* #+begin_example
* Bitstring.(shift_left (of_int 15) 2);;
* - : Bitstring.t =
* --++++----------------------------------------------------------
*
* Bitstring.(shift_right (of_int 15) 2);;
* - : Bitstring.t =
* ++--------------------------------------------------------------
*
* Bitstring.shift_left_one 32 4;;
* - : Bitstring.t =
* ----+-----------------------------------------------------------
*
* Bitstring.(testbit (of_int 15) 3);;
* - : bool = true
*
* Bitstring.(testbit (of_int 15) 4);;
* - : bool = false
* #+end_example *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:5]] *)
check_bool "of_z" true (one_x = (of_z (Z.of_int x)));
(* General implementation:5 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:11]] *)
check_bool "shift_left1" true (of_int (x lsl 3) = shift_left one_x 3);
check_bool "shift_left2" true (of_z (Z.shift_left z 3) = shift_left many_x 3);
check_bool "shift_left3" true (of_z (Z.shift_left z 100) = shift_left many_x 100);
(* General implementation:11 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:13]] *)
check_bool "shift_right1" true (of_int (x lsr 3) = shift_right one_x 3);
check_bool "shift_right2" true (of_z (Z.shift_right z 3) = shift_right many_x 3);
(* General implementation:13 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:15]] *)
check_bool "shift_left1" true (of_int (x lsl 3) = shift_left one_x 3);
check_bool "shift_left2" true (of_z (Z.shift_left z 3) = shift_left many_x 3);
check_bool "shift_left3" true (of_z (Z.shift_left z 100) = shift_left many_x 100);
check_bool "shift_right1" true (of_int (x lsr 3) = shift_right one_x 3);
check_bool "shift_right2" true (of_z (Z.shift_right z 3) = shift_right many_x 3);
check_bool "shift_left_one1" true (of_int (1 lsl 3) = shift_left_one 4 3);
check_bool "shift_left_one2" true (of_z (Z.shift_left Z.one 200) = shift_left_one 300 200);
(* General implementation:15 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:17]] *)
check_bool "testbit1" true (testbit (of_int 8) 3);
check_bool "testbit2" false (testbit (of_int 8) 2);
check_bool "testbit3" false (testbit (of_int 8) 4);
check_bool "testbit4" true (testbit (of_z (Z.of_int 8)) 3);
check_bool "testbit5" false (testbit (of_z (Z.of_int 8)) 2);
check_bool "testbit6" false (testbit (of_z (Z.of_int 8)) 4);
(* General implementation:17 ends here *)
(* General implementation:5 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:19]] *)
(* #+begin_example
* Bitstring.(logor (of_int 15) (of_int 73));;
* - : Bitstring.t =
* ++++--+---------------------------------------------------------
*
* Bitstring.(logand (of_int 15) (of_int 10));;
* - : Bitstring.t =
* -+-+------------------------------------------------------------
*
* Bitstring.(logxor (of_int 15) (of_int 73));;
* - : Bitstring.t =
* -++---+---------------------------------------------------------
* #+end_example *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:7]] *)
check_bool "logor1" true (of_int (1 lor 2) = logor (of_int 1) (of_int 2));
check_bool "logor2" true (of_z (Z.of_int (1 lor 2)) = logor (of_z Z.one) (of_z (Z.of_int 2)));
(* General implementation:19 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:21]] *)
check_bool "logxor1" true (of_int (1 lxor 2) = logxor (of_int 1) (of_int 2));
check_bool "logxor2" true (of_z (Z.of_int (1 lxor 2)) = logxor (of_z Z.one) (of_z (Z.of_int 2)));
(* General implementation:21 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:23]] *)
check_bool "logand1" true (of_int (1 land 3) = logand (of_int 1) (of_int 3));
check_bool "logand2" true (of_z (Z.of_int (1 land 3)) = logand (of_z Z.one) (of_z (Z.of_int 3)));
(* General implementation:23 ends here *)
(* General implementation:7 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:31]] *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:11]] *)
check_bool "to_list" true ([ 1 ; 3 ; 4 ; 6 ] = (to_list (of_int 45)));
(* General implementation:31 ends here *)
(* General implementation:11 ends here *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:33]] *)
(* #+begin_example
* Bitstring.permutations 2 4;;
* - : Bitstring.t list =
* [++--------------------------------------------------------------;
* +-+-------------------------------------------------------------;
* -++-------------------------------------------------------------;
* +--+------------------------------------------------------------;
* -+-+------------------------------------------------------------;
* --++------------------------------------------------------------]
* #+end_example *)
(* [[file:~/QCaml/common/bitstring.org::*General%20implementation][General implementation:13]] *)
check "permutations"
(permutations 2 4 = List.map of_int
[ 3 ; 5 ; 6 ; 9 ; 10 ; 12 ]);
(* General implementation:33 ends here *)
(* General implementation:13 ends here *)
(* Tests :noexport: *)

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@ -1,4 +1,4 @@
(* [[file:../element.org::*Type][Type:2]] *)
(* [[file:~/QCaml/particles/element.org::*Type][Type:2]] *)
type t =
|X
|H |He
@ -41,7 +41,7 @@ open Common
* #+end_example *)
(* [[file:../element.org::*Conversion][Conversion:2]] *)
(* [[file:~/QCaml/particles/element.org::*Conversion][Conversion:2]] *)
let of_string x =
match (String.capitalize_ascii (String.lowercase_ascii x)) with
| "X" | "Dummy" -> X | "H" | "Hydrogen" -> H
@ -165,7 +165,7 @@ let of_charge c =
* | ~large_core~ | Number of electrons in the large core model (all except the outermost shell) | *)
(* [[file:../element.org::*Database information][Database information:2]] *)
(* [[file:~/QCaml/particles/element.org::*Database information][Database information:2]] *)
let covalent_radius x =
let result = function
| X -> 0. | H -> 0.37 | He -> 0.70 | Li -> 1.23
@ -266,7 +266,7 @@ let small_core t =
|> loop
(* Database information:2 ends here *)
(* [[file:../element.org::*Printers][Printers:2]] *)
(* [[file:~/QCaml/particles/element.org::*Printers][Printers:2]] *)
let pp ppf t =
Format.fprintf ppf "@[%s@]" (to_string t)

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@ -2,7 +2,7 @@
*
* #+NAME: types *)
(* [[file:../element.org::types][types]] *)
(* [[file:~/QCaml/particles/element.org::types][types]] *)
type t =
|X
|H |He
@ -20,7 +20,7 @@ open Common
(* Conversion *)
(* [[file:../element.org::*Conversion][Conversion:1]] *)
(* [[file:~/QCaml/particles/element.org::*Conversion][Conversion:1]] *)
val of_string : string -> t
val to_string : t -> string
val to_long_string : t -> string
@ -35,7 +35,7 @@ val of_charge : Charge.t -> t
(* Database information *)
(* [[file:../element.org::*Database information][Database information:1]] *)
(* [[file:~/QCaml/particles/element.org::*Database information][Database information:1]] *)
val covalent_radius : t -> Non_negative_float.t
val vdw_radius : t -> Non_negative_float.t
val mass : t -> Mass.t
@ -46,7 +46,7 @@ val large_core : t -> int
(* Printers *)
(* [[file:../element.org::*Printers][Printers:1]] *)
(* [[file:~/QCaml/particles/element.org::*Printers][Printers:1]] *)
val pp : Format.formatter -> t -> unit
val pp_long : Format.formatter -> t -> unit
(* Printers:1 ends here *)

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@ -52,6 +52,7 @@ let rec install_printers = function
eval_exn cmd && install_printers printers
let () =
eval_exn "#require \"lacaml.top\";;";
if not (install_printers printers) then
Format.eprintf "Problem installing QCaml-printers@."

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@ -27,6 +27,7 @@ let rec install_printers = function
eval_exn cmd && install_printers printers
let () =
eval_exn "#require \"lacaml.top\";;";
if not (install_printers printers) then
Format.eprintf "Problem installing QCaml-printers@."
(* Intall printers:2 ends here *)