mirror of https://gitlab.com/scemama/QCaml.git
50 lines
812 B
OCaml
50 lines
812 B
OCaml
/* Parses basis sets GAMESS format */
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%{
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%}
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%token <string> ELEMENT
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%token <char> ANG_MOM
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%token <int> INTEGER
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%token <float> FLOAT
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%token SPACE
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%token EOL
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%token EOF
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%start input
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%type <Basis.basis_set> input
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%% /* Grammar rules and actions follow */
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input:
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| basis { $1 }
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| EOL input { $2 }
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basis:
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| element shell_array EOL { ($1, $2) }
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| element shell_array EOF { ($1, $2) }
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element:
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| ELEMENT { $1 }
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shell_array:
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| shell_list { Array.of_list @@ List.rev $1 }
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shell_list:
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| { [] }
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| shell_list shell { $2 :: $1 }
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shell:
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| ANG_MOM INTEGER EOL primitive_list { (Angular_momentum.of_char $1, Array.of_list @@ List.rev $4 ) }
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primitive_list:
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| { [] }
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| primitive_list primitive { $2 :: $1 }
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primitive:
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| INTEGER FLOAT FLOAT EOL { Basis.{exponent=$2 ; coefficient=$3 } }
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