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Diffstat (limited to 'kalzium/src/solver/chem.ml')
-rw-r--r-- | kalzium/src/solver/chem.ml | 60 |
1 files changed, 60 insertions, 0 deletions
diff --git a/kalzium/src/solver/chem.ml b/kalzium/src/solver/chem.ml new file mode 100644 index 00000000..2e0dd96d --- /dev/null +++ b/kalzium/src/solver/chem.ml @@ -0,0 +1,60 @@ +(*************************************************************************** + * Copyright (C) 2004 by Thomas Nagy * + * tnagy2^8@yahoo.fr * + * * + * This program is free software; you can redistribute it and/or modify * + * it under the terms of the GNU General Public License as published by * + * the Free Software Foundation; either version 2 of the License, or * + * (at your option) any later version. * + * * + * This program 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 General Public License for more details. * + * * + * You should have received a copy of the GNU General Public License * + * along with this program; if not, write to the * + * Free Software Foundation, Inc., * + * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. * + ***************************************************************************) + +open Facile;; +open Easy;; +open Datastruct;; + +let solve (eq : eqtable) = + let nb_molecules = eq#getsize_j () and nb_elements = eq#getsize_i () in + let dist = Fd.array nb_molecules 1 900 in + + (* trivial constraints on domains *) + for j = 0 to nb_molecules -1 do + let num = try int_of_string (eq#getvar j) with _ -> -1 in + if num > -1 then dist.(j) <- Fd.int num + done; + + (* raises an exception if the problem is not solvable *) + for i = 0 to nb_elements - 1 do + Cstr.post (Arith.scalprod_fd (eq#getline i) dist =~ i2e 0) + done; + + let goal = Goals.GlArray.labeling dist in + if (Goals.solve goal) then Array.iteri (fun cnt i -> eq#setsol cnt (Fd.min i)) dist + else failwith "no solution found" +;; + +(* workaround for (probably) a bug in the facile library 1.0 (fixed in 1.1?) : + * when the constraints make a problem + * unsolvable, an exception is raised + * + * unfortunately the next problem + * solved afterwards is not handled properly *) + +let cleanup (eq : eqtable) = +(* Printf.printf "cleaning up"; *) + let nb_molecules = eq#getsize_j () and nb_elements = eq#getsize_i () in + let dist = Fd.array nb_molecules 0 2 in + let goal = Goals.GlArray.labeling dist in + if not (Goals.solve goal) then failwith "fatal error" +;; + + |