mirror of https://gitlab.com/scemama/QCaml.git
22 lines
359 B
OCaml
22 lines
359 B
OCaml
(** When an xyz file is read by =xyz_parser.mly=, it is converted into
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* an ~xyz_file~ data structure. *)
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(** Parser *)
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open Common
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type nucleus =
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{
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element: Element.t ;
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coord : Coordinate.angstrom Coordinate.point;
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}
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type xyz_file =
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{
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number_of_atoms : int ;
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file_title : string ;
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nuclei : nucleus list ;
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}
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