QCaml/Basis/GamessParser.mly

/* Parses basis sets GAMESS format */

%{

%}

%token <string> ELEMENT
%token <char> ANG_MOM
%token <int> INTEGER
%token <float> FLOAT
%token SPACE
%token EOL
%token EOF

%start input
%type <GeneralBasis.t> input

%% /* Grammar rules and actions follow */

input:
  | basis { $1 }
  | EOL input { $2 }

basis:
  | element shell_array EOL { ($1, $2) }
  | element shell_array EOF { ($1, $2) }

element:
  | ELEMENT { Element.of_string $1 }

shell_array:
  | shell_list { Array.of_list @@ List.rev $1 }

shell_list:
  | { [] }
  | shell_list shell { $2 :: $1 }

shell:
  | ANG_MOM INTEGER EOL primitive_list { (AngularMomentum.of_char $1, Array.of_list @@ List.rev $4 ) } 

primitive_list: 
  | { [] }
  | primitive_list primitive { $2 :: $1 }

primitive: 
  | INTEGER FLOAT FLOAT EOL { GeneralBasis.{exponent=$2 ; coefficient=$3 } }