mirror of https://gitlab.com/scemama/QCaml.git
59 lines
1.3 KiB
OCaml
59 lines
1.3 KiB
OCaml
/* Parses nuclear coordinates in xyz format */
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%{
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exception InputError of string
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%}
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%token EOL
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%token <string> SPACE
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%token <string> WORD
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%token <int> INTEGER
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%token <float> FLOAT
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%token EOF
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%start input
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%type <(Element.t * (float array)) array> input
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%% /* Grammar rules and actions follow */
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input:
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| integer title atoms_xyz {
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let len = List.length $3 in
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if len <> $1 then
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let error_msg = Printf.sprintf "%d atoms entered, expected %d" len $1 in
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raise (InputError error_msg)
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else
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Array.of_list $3
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}
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integer:
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| INTEGER EOL { $1 }
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| INTEGER SPACE EOL { $1 }
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title:
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| title_list EOL { $1 }
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text:
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| WORD {$1 }
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| SPACE {$1 }
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| FLOAT {(string_of_float $1)}
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| INTEGER {(string_of_int $1)}
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title_list:
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| { "" }
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| title_list text { $1 ^ $2 }
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atoms_xyz:
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| atoms_list EOL { List.rev $1 }
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| atoms_list EOF { List.rev $1 }
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atoms_list:
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| { [] }
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| atoms_list WORD SPACE FLOAT SPACE FLOAT SPACE FLOAT EOL { (Element.of_string $2, [| $4;$6;$8 |]) :: $1 }
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| atoms_list WORD SPACE FLOAT SPACE FLOAT SPACE FLOAT SPACE EOL { (Element.of_string $2, [| $4;$6;$8 |]) :: $1 }
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| atoms_list INTEGER SPACE FLOAT SPACE FLOAT SPACE FLOAT EOL { (Element.of_int $2, [| $4;$6;$8 |]) :: $1 }
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| atoms_list INTEGER SPACE FLOAT SPACE FLOAT SPACE FLOAT SPACE EOL { (Element.of_int $2, [| $4;$6;$8 |]) :: $1 }
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