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mapReactions.ml
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mapReactions.ml
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(*
* AtomMap: maps atoms in chemical reactions
* Copyright (C) 2015-2017 Wojciech Jaworski <wjaworski atSPAMfree mimuw dot edu dot pl>
* Copyright (C) 2015-2017 Institute of Informatics, University of Warsaw
* Copyright (C) 2015-2017 Sara Szymkuc <saraszymkuc atSPAMfree gmail dot com>
* Copyright (C) 2015-2017 Barbara Mikulak <basia dot mikulak atSPAMfree gmail dot com>
* Copyright (C) 2015-2017 Institute of Organic Chemistry Polish Academy of Sciences
* This library is free software: you can redistribute it and/or modify
* it under the terms of the GNU Lesser General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* This library is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Lesser General Public License for more details.
*
* You should have received a copy of the GNU Lesser General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*)
open Types
(*let _ =
if Array.length Sys.argv < 4 then print_endline "missing argument\nusage: map_reactions name_prefix input_filename output_filename" else
let reactions = Import.load_reactions Sys.argv.(2) in
MatchingExec.map_atoms2 Sys.argv.(1) Sys.argv.(3) reactions*)
(*let _ =
if Array.length Sys.argv < 5 then print_endline "missing argument\nusage: map_reactions no_processors name_prefix input_filename output_filename" else
let reactions = Import.load_reactions Sys.argv.(3) in
let no_processors = try int_of_string Sys.argv.(1) with _ -> failwith "invalid value for no_processors" in
let simple_flag = false in
MatchingExec.map_atoms2_distr no_processors simple_flag Sys.argv.(2) Sys.argv.(4) reactions*)
let _ =
if Array.length Sys.argv < 3 then print_endline "missing argument\nusage: map_reactions no_processors input_filename" else
let reactions = Import.load_reactions Sys.argv.(2) in
let no_processors = try int_of_string Sys.argv.(1) with _ -> failwith "invalid value for no_processors" in
let simple_flag = false in
MatchingExec.map_atoms2_distr3 no_processors simple_flag reactions
(*let _ =
if Array.length Sys.argv < 3 then print_endline "missing argument\nusage: map_reactions no_processors input_filename" else
let reactions = Import.load_rxn2 Sys.argv.(2) in
let no_processors = try int_of_string Sys.argv.(1) with _ -> failwith "invalid value for no_processors" in
let simple_flag = false in
MatchingExec.map_atoms2_distr3 no_processors simple_flag reactions*)
(*let _ =
if Array.length Sys.argv < 3 then print_endline "missing argument\nusage: map_reactions no_processors input_filename" else
let reactions = Import.load_wszystkie () in
let no_processors = try int_of_string Sys.argv.(1) with _ -> failwith "invalid value for no_processors" in
let simple_flag = false in
MatchingExec.map_atoms2_distr3 no_processors simple_flag reactions*)