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(***************************************************************************
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* Copyright (C) 2004 by Thomas Nagy *
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* This program is free software; you can redistribute it and/or modify *
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* it under the terms of the GNU General Public License as published by *
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* the Free Software Foundation; either version 2 of the License, or *
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* (at your option) any later version. *
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* This program is distributed in the hope that it will be useful, *
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* but WITHOUT ANY WARRANTY; without even the implied warranty of *
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
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* GNU General Public License for more details. *
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* You should have received a copy of the GNU General Public License *
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* along with this program; if not, write to the *
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* Free Software Foundation, Inc., *
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* 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. *
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***************************************************************************)
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let solve (eq : eqtable) =
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let nb_molecules = eq#getsize_j () and nb_elements = eq#getsize_i () in
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let dist = Fd.array nb_molecules 1 900 in
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(* trivial constraints on domains *)
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for j = 0 to nb_molecules -1 do
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let num = try int_of_string (eq#getvar j) with _ -> -1 in
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if num > -1 then dist.(j) <- Fd.int num
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(* raises an exception if the problem is not solvable *)
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for i = 0 to nb_elements - 1 do
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Cstr.post (Arith.scalprod_fd (eq#getline i) dist =~ i2e 0)
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let goal = Goals.GlArray.labeling dist in
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if (Goals.solve goal) then Array.iteri (fun cnt i -> eq#setsol cnt (Fd.min i)) dist
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else failwith "no solution found"
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(* workaround for (probably) a bug in the facile library 1.0 (fixed in 1.1?) :
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* when the constraints make a problem
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* unsolvable, an exception is raised
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* unfortunately the next problem
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* solved afterwards is not handled properly *)
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let cleanup (eq : eqtable) =
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(* Printf.printf "cleaning up"; *)
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let nb_molecules = eq#getsize_j () and nb_elements = eq#getsize_i () in
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let dist = Fd.array nb_molecules 0 2 in
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let goal = Goals.GlArray.labeling dist in
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if not (Goals.solve goal) then failwith "fatal error"
added
removed
src/solver/chem.ml
