Copy the KDE 3.5 branch to branches/trinity for new KDE 3.5 features.

BUG:215923


git-svn-id: svn://anonsvn.kde.org/home/kde/branches/trinity/kdeedu@1054174 283d02a7-25f6-0310-bc7c-ecb5cbfe19da

18 files changed, 1259 insertions, 0 deletions

diff --git a/kalzium/src/solver/Makefile b/kalzium/src/solver/Makefile
new file mode 100644
index 00000000..4b96fdb7
--- /dev/null
+++ b/kalzium/src/solver/Makefile
@@ -0,0 +1,92 @@
+
+OCAMLC = ocamlc -g
+OCAMLMLI = ocamlc
+OCAMLOPT = ocamlopt
+OCAMLDEP = ocamldep
+INCLUDES = -I +facile
+OPTOPT = 
+OCAMLLIB := `ocamlc -where`
+FACILELIB = $(OCAMLLIB)/facile
+
+
+# link to these libraries
+LIBADD_CMX = $(OCAMLLIB)/facile/facile.cmxa #$(OCAMLLIB)/str.cmxa
+LIBADD_CMO = $(OCAMLLIB)/facile/facile.cma #$(OCAMLLIB)/str.cma
+
+# our sources
+SOURCES_CHEM = chemset.ml parser.ml lexer.ml datastruct.ml chem.ml  calc.ml
+SOURCES_WRAP = modwrap.c
+
+# the targets
+CHEM_CMO = $(SOURCES_CHEM:.ml=.cmo)
+CHEM_CMX = $(SOURCES_CHEM:.ml=.cmx)
+CHEM_O = $(SOURCES_WRAP:.c=.o)
+
+# default target : the object files for eqchem
+all : solver.o
+
+# shows how to build a program that embeds the solver
+# in compiled ocaml, bytecode ocaml and compiled program using compiled caml code
+test: atestprog.opt btestprog.out testcprog
+
+atestprog.opt: $(CHEM_CMX) main.cmx
+	$(OCAMLOPT) -o $@ $(LIBADD_CMX) $(CHEM_CMX) main.cmx
+
+btestprog.out: $(CHEM_CMO) main.cmo
+	$(OCAMLMLI) -o $@ $(LIBADD_CMO) $(CHEM_CMO) main.cmo
+
+solver.o: $(CHEM_CMX) $(CHEM_O)
+	$(OCAMLOPT) -output-obj -o solver.o $(LIBADD_CMX) $(CHEM_CMX)
+	cp -f solver.o modwrap.o ../
+
+testcprog: $(CHEM_CMX) $(CHEM_O)
+	$(OCAMLOPT) -output-obj -o solver.o $(LIBADD_CMX) $(CHEM_CMX) modwrap.o
+	gcc -c -o main.o main.c -L $(OCAMLLIB)
+	gcc -o $@ main.o solver.o -L $(OCAMLLIB) \
+          -L $(OCAMLLIB)/facile -lasmrun -lstr -lnums -lm -ldl modwrap.o
+
+.SUFFIXES:
+.SUFFIXES: .ml .mli .mly .mll .cmi .cmo .cmx .p.cmx .c
+
+.ml.cmo :
+	$(OCAMLC) $(INCLUDES) $(INCLUDES) -c $<
+
+.mli.cmi :
+	$(OCAMLMLI) $(INCLUDES) -c $<
+
+.ml.cmx :
+	$(OCAMLOPT) $(OPTOPT) $(INCLUDES) -c $<
+
+.mly.ml :
+	ocamlyacc $<
+
+.mll.ml :
+	ocamllex $<
+
+%.o : %.c
+	$(OCAMLOPT) $(OPTOPT) $(INCLUDES) -c $<
+
+clean:
+	\rm -f *.cm[iox] *.o *~ .depend *testprog.* testcprog
+
+cleanall : clean
+	\rm -f *.cmxa *.a *.cma
+
+distclean : clean
+
+interfaces:
+	ocamlc -i datastruct.ml > datastruct.mli
+	ocamlc -I +facile -i chem.ml > chem.mli
+	ocamlc -I +facile -i calc.ml > calc.mli
+
+maintainer-clean : clean
+
+uninstall : clean
+
+install : 
+	echo "done"
+
+.depend: parser.ml lexer.ml
+	$(OCAMLDEP) $(INCLUDES) *.mli *.ml > $@
+
+include .depend
diff --git a/kalzium/src/solver/README b/kalzium/src/solver/README
new file mode 100644
index 00000000..c2501bf5
--- /dev/null
+++ b/kalzium/src/solver/README
@@ -0,0 +1,19 @@
+You will need a working objective caml installation and 
+the FaCiLe library properly configured and installed
+to compile eqchem.
+
+In practice, one would only run make in this directory (src/solver)
+"make"
+"make clean", etc
+
+To assemble with a c++ or a kde program, the object files 
+solver.o and modwrap.o must be added and linked with :
+-L/usr/lib/ocaml -L/usr/lib/ocaml/facile -lasmrun -lstr -lnums -lm -ldl solver.o modwrap.o
+
+The program built can then be run without the objective caml tools.
+
+Console examples can also be generated (try "make test")
+
+
+Thomas Nagy
+
diff --git a/kalzium/src/solver/calc.ml b/kalzium/src/solver/calc.ml
new file mode 100644
index 00000000..745f7c14
--- /dev/null
+++ b/kalzium/src/solver/calc.ml
@@ -0,0 +1,53 @@
+(***************************************************************************
+ *   Copyright (C) 2004 by Thomas Nagy                                     *
+ *   tnagy2^[email protected]                                                     *
+ *                                                                         *
+ *   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 Printf;;
+open Chemset;;
+open Datastruct;;
+open Chem;;
+open Hashtbl;;
+
+let create_equation str = 
+    let lexbuf = Lexing.from_string str in
+    let result = Parser.main Lexer.token lexbuf in
+    result
+;;
+
+exception Not_found;;
+
+let solve_equation (str:string) =
+    let eq = new eqtable in
+    try
+        eq#build (create_equation str);
+        try
+(*          eq#print_all (); *)
+            solve eq;
+            eq#get_eq_sol ();
+
+        with | _ -> begin 
+            let str = (eq#get_eq_orig ())^" : No solution found" in
+            (*cleanup eq;*)
+            str
+        end
+    with | _ -> str^" : Parse Error";
+;;
+
+let _ = Callback.register "solve_equation" solve_equation;;
+
diff --git a/kalzium/src/solver/calc.mli b/kalzium/src/solver/calc.mli
new file mode 100644
index 00000000..32bd5518
--- /dev/null
+++ b/kalzium/src/solver/calc.mli
@@ -0,0 +1,3 @@
+val create_equation : string -> Chemset.listitems
+exception Not_found
+val solve_equation : string -> string
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^[email protected]                                                     *
+ *                                                                         *
+ *   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"
+;;
+
+
diff --git a/kalzium/src/solver/chem.mli b/kalzium/src/solver/chem.mli
new file mode 100644
index 00000000..0e607b2b
--- /dev/null
+++ b/kalzium/src/solver/chem.mli
@@ -0,0 +1,2 @@
+val solve : Datastruct.eqtable -> unit
+val cleanup : Datastruct.eqtable -> unit
diff --git a/kalzium/src/solver/chemset.ml b/kalzium/src/solver/chemset.ml
new file mode 100644
index 00000000..d8136846
--- /dev/null
+++ b/kalzium/src/solver/chemset.ml
@@ -0,0 +1,82 @@
+(***************************************************************************
+ *   Copyright (C) 2004 by Thomas Nagy                                     *
+ *   tnagy2^[email protected]                                                     *
+ *                                                                         *
+ *   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 Printf;;
+open Hashtbl;;
+open List;;
+open String;;
+
+type chemtbl = (string, int) Hashtbl.t;;
+type chemrecord = {mutable hashtbl:chemtbl; mutable formula:string};;
+type item = {ikey:string; itbl:chemrecord; mutable sign:int};;
+type listitems = (item) list;;
+
+
+(* add a symbol to a molecule *)
+let chem_addsym (tbl:chemtbl) (sym:string) (qte:int) = 
+    let prev_qte = ref 0 in
+    if Hashtbl.mem tbl sym then prev_qte := Hashtbl.find tbl sym;
+    Hashtbl.replace tbl sym (!prev_qte+qte)
+;;
+
+(* add merge two sub_molecules *)
+let chem_add (tbl1:chemrecord) (tbl2:chemrecord) = 
+    Hashtbl.iter (fun sym qte -> chem_addsym tbl1.hashtbl sym qte) tbl2.hashtbl;
+    tbl1.formula <- tbl1.formula^tbl2.formula;
+    tbl1
+;;
+
+(* multiply a sub-molecule (amount of atoms) by an integer value *)
+let chem_mult (tbl:chemrecord) (qte:int) = 
+    Hashtbl.iter (fun sym old_qte-> Hashtbl.replace tbl.hashtbl sym (old_qte*qte) ) tbl.hashtbl;
+    tbl.formula <- "("^tbl.formula^")"^string_of_int(qte);
+    tbl
+;;
+
+(* creates a small molecule *)
+let createchem (sym:string) (qte:int) =
+
+    let prettyformula () =
+        if String.contains sym '+' || String.contains sym '-' then begin
+            if qte == 1 then "<b><sup>"^sym^"</sup></b>"
+		else "<b><sup>"^string_of_int(qte)^sym^"</sup></b>" end 
+        else begin
+            if qte == 1 then sym
+            else sym^"<b><sub>"^string_of_int(qte)^"</sub></b>"
+        end
+    in
+    
+    let table = Hashtbl.create 10 in
+    Hashtbl.add table sym qte;
+    { hashtbl=table ; formula=prettyformula() }
+    (*if (qte!=1) then { hashtbl=table ; formula=prettyformula() }
+    else { hashtbl=table ; formula=sym }*)
+;;
+
+let chem_negate (l:listitems) =
+    List.iter (fun i -> i.sign <- -1) l
+;;
+
+(* outputs a molecule *)
+let chem_printitem (i:item) =
+    Printf.printf "item : %s %s %d \n" i.ikey (i.itbl).formula i.sign;
+    Hashtbl.iter (fun sym qte -> Printf.printf " * %s %d\n" sym qte) i.itbl.hashtbl
+;;
+
diff --git a/kalzium/src/solver/chemset.mli b/kalzium/src/solver/chemset.mli
new file mode 100644
index 00000000..64c64bcf
--- /dev/null
+++ b/kalzium/src/solver/chemset.mli
@@ -0,0 +1,10 @@
+type chemtbl = (string, int) Hashtbl.t
+and chemrecord = { mutable hashtbl : chemtbl; mutable formula : string; }
+and item = { ikey : string; itbl : chemrecord; mutable sign : int; }
+and listitems = item list
+val chem_addsym : chemtbl -> string -> int -> unit
+val chem_add : chemrecord -> chemrecord -> chemrecord
+val chem_mult : chemrecord -> int -> chemrecord
+val createchem : string -> int -> chemrecord
+val chem_negate : listitems -> unit
+val chem_printitem : item -> unit
diff --git a/kalzium/src/solver/datastruct.ml b/kalzium/src/solver/datastruct.ml
new file mode 100644
index 00000000..541ed8cd
--- /dev/null
+++ b/kalzium/src/solver/datastruct.ml
@@ -0,0 +1,141 @@
+(***************************************************************************
+ *   Copyright (C) 2004 by Thomas Nagy                                     *
+ *   tnagy2^[email protected]                                                     *
+ *                                                                         *
+ *   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 List;;
+open Chemset;;
+open Hashtbl;;
+open Array;;
+
+class eqtable =
+object (self)
+
+(* columns : vars + formula | lines : chemical elements *)
+val mutable numtbl = Array.make_matrix 0 0 0
+val mutable strtbl = Array.make 0 ""
+val mutable vartbl = Array.make 0 ""
+val mutable soltbl = Array.make 0 0
+val mutable m_solved = false
+val mutable m_middle = 0
+    
+(* val mutable (table:int array array) = [||] *)
+
+(* lines : i : chem element *)
+(* columns : vars j *)
+method getsize_i () = Array.length numtbl
+method getsize_j () = if (self#getsize_i () > 0) then Array.length numtbl.(0) else 0
+
+method getline j = numtbl.(j)
+
+method getformula k = strtbl.(k)
+method getvar k = vartbl.(k)
+method getsol k = soltbl.(k)
+
+method setsol k v = soltbl.(k) <- v
+method isSolved () = m_solved
+
+method get_eq_sol () =
+    let str = ref "" in
+    for j=0 to (self#getsize_j () -1) do
+        if (j == m_middle) then str := (!str)^" -&gt; "
+        else if (j>0 && j<self#getsize_j ()) then str := (!str)^" + ";
+            
+        str := (!str)^"<b>"^string_of_int(self#getsol j)^"</b> "^(self#getformula j);
+    done;
+    !str
+
+method get_eq_orig () =
+    let str = ref "" in
+    for j=0 to (self#getsize_j () -1) do
+        if (j == m_middle) then str := (!str)^" -&gt; "
+        else if (j>0 && j<self#getsize_j ()) then str := (!str)^" + ";
+            
+        str := (!str)^"<b>"^(self#getvar j)^"</b> "^(self#getformula j);
+    done;
+    !str
+    
+method private init i j = numtbl <- Array.make_matrix i j 0;
+    strtbl <- Array.make j "";
+    vartbl <- Array.make j "";
+    soltbl <- Array.make j 0
+    
+method clear () =
+    self#init 0 0;
+    
+method print_all () =
+    Printf.printf "--- start print_all ---\n";
+    for i = 0 to (self#getsize_i ())-1 do
+        for j = 0 to (self#getsize_j ())-1 do
+            Printf.printf "%d " (numtbl.(i).(j));
+        done;
+        Printf.printf "\n";
+    done;
+    Printf.printf "--- end print_all ---\n";
+    flush_all ()
+                      
+(* build the matrix to solve *)
+method build (lst:listitems) = 
+    let nb_symbols = ref 0 in
+    let item_array = Array.of_list lst in
+    let record:(string, int) Hashtbl.t = Hashtbl.create 10 in
+    let nb_items = ref (Array.length item_array) in
+    for i=0 to !nb_items-1 do
+        Hashtbl.iter (fun sym _ ->
+            (* take all chemical elements but simplify ions (+ or -) into + *)
+            let symprocessed = if String.contains sym '+' || String.contains sym '-'
+                then "+" else sym in
+            
+            if not (Hashtbl.mem record symprocessed) then begin
+                Hashtbl.add record symprocessed !nb_symbols;
+                nb_symbols := !nb_symbols+1
+            end
+            ) item_array.(i).itbl.hashtbl
+    done;
+    
+    (* initialize the matrix *)
+    self#init (!nb_symbols) (!nb_items);
+    
+    (* process each atom*)
+    for i=0 to !nb_items-1 do
+        (* find the middle (->) - nothing to do with the others things in this loop *)
+        if (item_array.(i).sign<0 && i>0) then (if (item_array.(i-1).sign>0) then m_middle<-i);
+        
+        (* store the molecule formula *)
+        vartbl.(i) <- item_array.(i).ikey;
+        strtbl.(i) <- item_array.(i).itbl.formula;
+
+        (* for each molecule, process the atoms *)
+        Hashtbl.iter (fun sym qte -> 
+
+            if String.contains sym '+' || String.contains sym '-' then begin
+                (* it is an electric charge *)
+                let chargesign = if String.contains sym '-' then -1 else 1 in
+                let line_idx = (Hashtbl.find record "+") in
+                numtbl.(line_idx).(i) <- qte * item_array.(i).sign * chargesign
+            end
+            else begin
+                (* check if the atom is already there *)
+                let line_idx = (Hashtbl.find record sym) in
+                numtbl.(line_idx).(i) <- (qte * item_array.(i).sign)
+            end
+            ) item_array.(i).itbl.hashtbl
+    done
+
+end;;
+
diff --git a/kalzium/src/solver/datastruct.mli b/kalzium/src/solver/datastruct.mli
new file mode 100644
index 00000000..f2daeb3b
--- /dev/null
+++ b/kalzium/src/solver/datastruct.mli
@@ -0,0 +1,23 @@
+class eqtable :
+  object
+    val mutable m_middle : int
+    val mutable m_solved : bool
+    val mutable numtbl : int array array
+    val mutable soltbl : int array
+    val mutable strtbl : string array
+    val mutable vartbl : string array
+    method build : Chemset.listitems -> unit
+    method clear : unit -> unit
+    method get_eq_orig : unit -> string
+    method get_eq_sol : unit -> string
+    method getformula : int -> string
+    method getline : int -> int array
+    method getsize_i : unit -> int
+    method getsize_j : unit -> int
+    method getsol : int -> int
+    method getvar : int -> string
+    method private init : int -> int -> unit
+    method isSolved : unit -> bool
+    method print_all : unit -> unit
+    method setsol : int -> int -> unit
+  end
diff --git a/kalzium/src/solver/lexer.ml b/kalzium/src/solver/lexer.ml
new file mode 100644
index 00000000..e82d6804
--- /dev/null
+++ b/kalzium/src/solver/lexer.ml
@@ -0,0 +1,189 @@
+# 22 "lexer.mll"
+ 
+        open Parser;;
+        exception IllegalChar
+
+# 7 "lexer.ml"
+let __ocaml_lex_tables = {
+  Lexing.lex_base = 
+   "\000\000\244\255\255\255\075\000\253\255\036\000\251\255\249\255\
+    \248\255\247\255\246\255\000\000\243\255\245\255";
+  Lexing.lex_backtrk = 
+   "\255\255\255\255\255\255\001\000\255\255\003\000\255\255\255\255\
+    \255\255\255\255\255\255\005\000\255\255\255\255";
+  Lexing.lex_default = 
+   "\001\000\000\000\000\000\255\255\000\000\255\255\000\000\000\000\
+    \000\000\000\000\000\000\255\255\000\000\000\000";
+  Lexing.lex_trans = 
+   "\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\002\000\002\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \002\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \007\000\008\000\000\000\006\000\000\000\011\000\000\000\000\000\
+    \003\000\003\000\003\000\003\000\003\000\003\000\003\000\003\000\
+    \003\000\003\000\000\000\000\000\000\000\000\000\013\000\000\000\
+    \000\000\004\000\004\000\004\000\004\000\004\000\004\000\004\000\
+    \004\000\004\000\004\000\004\000\004\000\004\000\004\000\004\000\
+    \004\000\004\000\004\000\004\000\004\000\004\000\004\000\004\000\
+    \004\000\004\000\004\000\009\000\000\000\010\000\000\000\000\000\
+    \000\000\005\000\005\000\005\000\005\000\005\000\005\000\005\000\
+    \005\000\005\000\005\000\005\000\005\000\005\000\005\000\005\000\
+    \005\000\005\000\005\000\005\000\005\000\005\000\005\000\005\000\
+    \005\000\005\000\005\000\003\000\003\000\003\000\003\000\003\000\
+    \003\000\003\000\003\000\003\000\003\000\005\000\005\000\005\000\
+    \005\000\005\000\005\000\005\000\005\000\005\000\005\000\005\000\
+    \005\000\005\000\005\000\005\000\005\000\005\000\005\000\005\000\
+    \005\000\005\000\005\000\005\000\005\000\005\000\005\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \012\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000";
+  Lexing.lex_check = 
+   "\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\000\000\000\000\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \000\000\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \000\000\000\000\255\255\000\000\255\255\000\000\255\255\255\255\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\255\255\255\255\255\255\255\255\011\000\255\255\
+    \255\255\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\255\255\000\000\255\255\255\255\
+    \255\255\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+    \000\000\000\000\000\000\003\000\003\000\003\000\003\000\003\000\
+    \003\000\003\000\003\000\003\000\003\000\005\000\005\000\005\000\
+    \005\000\005\000\005\000\005\000\005\000\005\000\005\000\005\000\
+    \005\000\005\000\005\000\005\000\005\000\005\000\005\000\005\000\
+    \005\000\005\000\005\000\005\000\005\000\005\000\005\000\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \000\000\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+    \255\255\255\255\255\255\255\255";
+  Lexing.lex_base_code = 
+   "";
+  Lexing.lex_backtrk_code = 
+   "";
+  Lexing.lex_default_code = 
+   "";
+  Lexing.lex_trans_code = 
+   "";
+  Lexing.lex_check_code = 
+   "";
+  Lexing.lex_code = 
+   "";
+}
+
+let rec token lexbuf =
+    __ocaml_lex_token_rec lexbuf 0
+and __ocaml_lex_token_rec lexbuf __ocaml_lex_state =
+  match Lexing.engine __ocaml_lex_tables __ocaml_lex_state lexbuf with
+      | 0 ->
+# 28 "lexer.mll"
+                  (token lexbuf)
+# 125 "lexer.ml"
+
+  | 1 ->
+# 29 "lexer.mll"
+                  ( INT(int_of_string(Lexing.lexeme lexbuf)) )
+# 130 "lexer.ml"
+
+  | 2 ->
+# 30 "lexer.mll"
+                  ( CAPITAL(Lexing.lexeme lexbuf) )
+# 135 "lexer.ml"
+
+  | 3 ->
+# 31 "lexer.mll"
+                  ( MINOR(Lexing.lexeme lexbuf) )
+# 140 "lexer.ml"
+
+  | 4 ->
+# 32 "lexer.mll"
+                  ( PLUS )
+# 145 "lexer.ml"
+
+  | 5 ->
+# 33 "lexer.mll"
+                  ( MINUS )
+# 150 "lexer.ml"
+
+  | 6 ->
+# 34 "lexer.mll"
+                  ( LPAREN )
+# 155 "lexer.ml"
+
+  | 7 ->
+# 35 "lexer.mll"
+                  ( RPAREN )
+# 160 "lexer.ml"
+
+  | 8 ->
+# 36 "lexer.mll"
+                  ( LBRACKET )
+# 165 "lexer.ml"
+
+  | 9 ->
+# 37 "lexer.mll"
+                  ( RBRACKET )
+# 170 "lexer.ml"
+
+  | 10 ->
+# 38 "lexer.mll"
+                  ( ARROW )
+# 175 "lexer.ml"
+
+  | 11 ->
+# 39 "lexer.mll"
+                  ( raise IllegalChar; )
+# 180 "lexer.ml"
+
+  | 12 ->
+# 40 "lexer.mll"
+                  ( EOF )
+# 185 "lexer.ml"
+
+  | __ocaml_lex_state -> lexbuf.Lexing.refill_buff lexbuf; __ocaml_lex_token_rec lexbuf __ocaml_lex_state
+
+;;
+
diff --git a/kalzium/src/solver/lexer.mll b/kalzium/src/solver/lexer.mll
new file mode 100644
index 00000000..a6a4ab49
--- /dev/null
+++ b/kalzium/src/solver/lexer.mll
@@ -0,0 +1,41 @@
+(***************************************************************************
+ *   Copyright (C) 2004 by Thomas Nagy                                     *
+ *   tnagy2^[email protected]                                                     *
+ *                                                                         *
+ *   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.             *
+ ***************************************************************************)
+
+(* File lexer.mll*)
+{
+        open Parser;;
+        exception IllegalChar
+}
+
+rule token = parse
+[' ' '\t' '\n']   {token lexbuf} (* ignore whitespaces *)
+| ['0'-'9']+      { INT(int_of_string(Lexing.lexeme lexbuf)) }
+| ['A'-'Z']       { CAPITAL(Lexing.lexeme lexbuf) }
+| ['a'-'z']+      { MINOR(Lexing.lexeme lexbuf) }
+| '+'             { PLUS }
+| '-'             { MINUS }
+| '('             { LPAREN }
+| ')'             { RPAREN }
+| '['             { LBRACKET }
+| ']'             { RBRACKET }
+| "->"            { ARROW }
+| _               { raise IllegalChar; }
+| eof             { EOF }
+
diff --git a/kalzium/src/solver/main.c b/kalzium/src/solver/main.c
new file mode 100644
index 00000000..d8e5e1bc
--- /dev/null
+++ b/kalzium/src/solver/main.c
@@ -0,0 +1,46 @@
+/***************************************************************************
+ *   Copyright (C) 2004 by Thomas Nagy                                     *
+ *   tnagy2^[email protected]                                                     *
+ *                                                                         *
+ *   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.             *
+ ***************************************************************************/
+
+#include <stdio.h>
+#include <stdlib.h>
+
+int main(int argc, char ** argv)
+{
+	caml_startup(argv);
+
+	char * eq = " a CH3(CH2)3COOH + b O2 -> c H2O + d CO2";
+	char * eq2= " a CH3(CH2)3COOH + b O2 -> c H2O + d CO";
+	char * result = solve_equation(eq);
+	char * result2 = solve_equation(eq2);
+
+	printf("solution : %s\n", result);
+
+	printf("solution : %s\n", result2);
+	free(result2);
+
+	result2 = solve_equation(eq);
+	printf("solution : %s\n", result2);
+	
+	free(result);
+	free(result2);
+	
+	return 0;
+}
+
diff --git a/kalzium/src/solver/main.ml b/kalzium/src/solver/main.ml
new file mode 100644
index 00000000..f940f1de
--- /dev/null
+++ b/kalzium/src/solver/main.ml
@@ -0,0 +1,46 @@
+(***************************************************************************
+ *   Copyright (C) 2004 by Thomas Nagy                                     *
+ *   tnagy2^[email protected]                                                     *
+ *                                                                         *
+ *   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 Printf;;
+open Calc;;
+
+
+let myeq1 = " a CH3(CH2)3COOH + b O2 -> c H2O + d CO2";;
+let myeq2 = " a CH3COOH + b O2 -> c H2O + d CO2";;
+let myeq3 = " a CH3(CH2)3COOH + b O2 -> invalid equation ";;
+let myeq4 = "2CH4+aC2H6+cO2->eH2O+5CO2";;
+let myeq5 = "a NaNO2 + b NH3 -> b NaN3 + e NaNO3";;
+let myeq6 = "a HNO2 + b NH3 -> b HN3 + e HNO3";;
+let myeq7 = "a H3O[+] + dCO2 + eO2 -> fH2O + dCO3[2+]";;
+
+(* Printf.printf "%s \n" (solve_equation myeq1);;
+Printf.printf "%s \n" (solve_equation myeq2);;
+Printf.printf "%s \n" (solve_equation myeq3);; *)
+(*
+Printf.printf "%s \n" (solve_equation myeq5);;
+Printf.printf "%s \n" (solve_equation myeq6);;
+Printf.printf "%s \n" (solve_equation myeq6);;
+
+Printf.printf "%s \n" (solve_equation myeq6);;*)
+Printf.printf "%s \n" (solve_equation myeq7);;
+
+
+
+
diff --git a/kalzium/src/solver/modwrap.c b/kalzium/src/solver/modwrap.c
new file mode 100644
index 00000000..0ab5359e
--- /dev/null
+++ b/kalzium/src/solver/modwrap.c
@@ -0,0 +1,37 @@
+/***************************************************************************
+ *   Copyright (C) 2004 by Thomas Nagy                                     *
+ *   tnagy2^[email protected]                                                     *
+ *                                                                         *
+ *   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.             *
+ ***************************************************************************/
+
+#include <stdio.h>
+#include <string.h>
+
+#include <caml/mlvalues.h>
+#include <caml/callback.h>
+
+char* solve_equation(const char * eq)
+{
+	static value * solve_equation_closure = NULL;
+	if (solve_equation_closure == NULL)
+	{
+		solve_equation_closure = caml_named_value("solve_equation");
+	}
+
+	return strdup(String_val(callback(*solve_equation_closure, copy_string(eq)) ));
+}
+
diff --git a/kalzium/src/solver/parser.ml b/kalzium/src/solver/parser.ml
new file mode 100644
index 00000000..8d7cc3c6
--- /dev/null
+++ b/kalzium/src/solver/parser.ml
@@ -0,0 +1,317 @@
+type token =
+  | INT of (int)
+  | PLUS
+  | MINUS
+  | LPAREN
+  | RPAREN
+  | LBRACKET
+  | RBRACKET
+  | EOF
+  | CAPITAL of (string)
+  | MINOR of (string)
+  | ARROW
+
+open Parsing;;
+# 26 "parser.mly"
+        open Chemset
+        
+        (*let parse_error somestring = Printf.printf "%s \n" somestring;;
+        *)
+# 21 "parser.ml"
+let yytransl_const = [|
+  258 (* PLUS *);
+  259 (* MINUS *);
+  260 (* LPAREN *);
+  261 (* RPAREN *);
+  262 (* LBRACKET *);
+  263 (* RBRACKET *);
+    0 (* EOF *);
+  266 (* ARROW *);
+    0|]
+
+let yytransl_block = [|
+  257 (* INT *);
+  264 (* CAPITAL *);
+  265 (* MINOR *);
+    0|]
+
+let yylhs = "\255\255\
+\001\000\002\000\003\000\003\000\004\000\004\000\005\000\005\000\
+\006\000\006\000\006\000\006\000\006\000\006\000\006\000\007\000\
+\007\000\000\000"
+
+let yylen = "\002\000\
+\002\000\003\000\001\000\003\000\002\000\002\000\001\000\002\000\
+\002\000\001\000\004\000\004\000\004\000\003\000\003\000\002\000\
+\001\000\002\000"
+
+let yydefred = "\000\000\
+\000\000\000\000\000\000\000\000\018\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\006\000\000\000\000\000\005\000\001\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\016\000\008\000\
+\009\000\002\000\004\000\000\000\000\000\000\000\014\000\015\000\
+\011\000\012\000\013\000"
+
+let yydgoto = "\002\000\
+\005\000\006\000\007\000\008\000\012\000\013\000\014\000"
+
+let yysindex = "\255\255\
+\003\255\000\000\010\255\010\255\000\000\003\000\252\254\011\255\
+\010\255\018\255\008\255\000\000\010\255\021\255\000\000\000\000\
+\003\255\003\255\020\255\007\255\019\255\022\255\000\000\000\000\
+\000\000\000\000\000\000\026\255\023\255\024\255\000\000\000\000\
+\000\000\000\000\000\000"
+
+let yyrindex = "\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\005\000\
+\000\000\000\000\001\000\000\000\015\000\008\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000"
+
+let yygindex = "\000\000\
+\000\000\000\000\006\000\000\000\254\255\000\000\000\000"
+
+let yytablesize = 281
+let yytable = "\001\000\
+\017\000\015\000\016\000\003\000\003\000\017\000\019\000\010\000\
+\029\000\030\000\024\000\004\000\018\000\009\000\007\000\010\000\
+\023\000\011\000\020\000\021\000\022\000\025\000\026\000\027\000\
+\028\000\031\000\033\000\000\000\032\000\034\000\035\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\000\
+\000\000\017\000\017\000\000\000\017\000\017\000\017\000\000\000\
+\017\000\010\000\017\000\010\000\010\000\010\000\003\000\010\000\
+\007\000\010\000\000\000\007\000\000\000\000\000\000\000\000\000\
+\007\000"
+
+let yycheck = "\001\000\
+\000\000\004\000\000\000\001\001\000\000\010\001\009\000\000\000\
+\002\001\003\001\013\000\009\001\002\001\004\001\000\000\006\001\
+\009\001\008\001\001\001\002\001\003\001\001\001\017\000\018\000\
+\005\001\007\001\001\001\255\255\007\001\007\001\007\001\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\255\
+\255\255\001\001\002\001\255\255\004\001\005\001\006\001\255\255\
+\008\001\002\001\010\001\004\001\005\001\006\001\010\001\008\001\
+\002\001\010\001\255\255\005\001\255\255\255\255\255\255\255\255\
+\010\001"
+
+let yynames_const = "\
+  PLUS\000\
+  MINUS\000\
+  LPAREN\000\
+  RPAREN\000\
+  LBRACKET\000\
+  RBRACKET\000\
+  EOF\000\
+  ARROW\000\
+  "
+
+let yynames_block = "\
+  INT\000\
+  CAPITAL\000\
+  MINOR\000\
+  "
+
+let yyact = [|
+  (fun _ -> failwith "parser")
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 1 : 'equation) in
+    Obj.repr(
+# 44 "parser.mly"
+                 ( _1 )
+# 177 "parser.ml"
+               : Chemset.listitems))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 2 : 'expr) in
+    let _3 = (peek_val parser_env 0 : 'expr) in
+    Obj.repr(
+# 49 "parser.mly"
+                    ( chem_negate _3; List.append _1 _3 )
+# 185 "parser.ml"
+               : 'equation))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 0 : 'item) in
+    Obj.repr(
+# 53 "parser.mly"
+         ( _1::[] )
+# 192 "parser.ml"
+               : 'expr))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 2 : 'item) in
+    let _3 = (peek_val parser_env 0 : 'expr) in
+    Obj.repr(
+# 54 "parser.mly"
+                     ( _1::_3 )
+# 200 "parser.ml"
+               : 'expr))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 1 : string) in
+    let _2 = (peek_val parser_env 0 : 'symbols) in
+    Obj.repr(
+# 58 "parser.mly"
+                  ( {ikey=_1; itbl=_2; sign=1} )
+# 208 "parser.ml"
+               : 'item))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 1 : int) in
+    let _2 = (peek_val parser_env 0 : 'symbols) in
+    Obj.repr(
+# 59 "parser.mly"
+                  ( {ikey=string_of_int(_1); itbl=_2; sign=1} )
+# 216 "parser.ml"
+               : 'item))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 0 : 'qte) in
+    Obj.repr(
+# 63 "parser.mly"
+        ( _1 )
+# 223 "parser.ml"
+               : 'symbols))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 1 : 'qte) in
+    let _2 = (peek_val parser_env 0 : 'symbols) in
+    Obj.repr(
+# 64 "parser.mly"
+                  ( chem_add _1 _2 )
+# 231 "parser.ml"
+               : 'symbols))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 1 : 'element) in
+    let _2 = (peek_val parser_env 0 : int) in
+    Obj.repr(
+# 68 "parser.mly"
+                ( createchem _1 _2 )
+# 239 "parser.ml"
+               : 'qte))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 0 : 'element) in
+    Obj.repr(
+# 69 "parser.mly"
+              ( createchem _1 1 )
+# 246 "parser.ml"
+               : 'qte))
+; (fun parser_env ->
+    let _2 = (peek_val parser_env 2 : 'symbols) in
+    let _4 = (peek_val parser_env 0 : int) in
+    Obj.repr(
+# 70 "parser.mly"
+                                ( chem_mult _2 _4 )
+# 254 "parser.ml"
+               : 'qte))
+; (fun parser_env ->
+    let _2 = (peek_val parser_env 2 : int) in
+    Obj.repr(
+# 71 "parser.mly"
+                                   ( createchem "+" _2 )
+# 261 "parser.ml"
+               : 'qte))
+; (fun parser_env ->
+    let _2 = (peek_val parser_env 2 : int) in
+    Obj.repr(
+# 72 "parser.mly"
+                                   ( createchem "-" _2 )
+# 268 "parser.ml"
+               : 'qte))
+; (fun parser_env ->
+    Obj.repr(
+# 73 "parser.mly"
+                               ( createchem "+" 1 )
+# 274 "parser.ml"
+               : 'qte))
+; (fun parser_env ->
+    Obj.repr(
+# 74 "parser.mly"
+                               ( createchem "-" 1 )
+# 280 "parser.ml"
+               : 'qte))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 1 : string) in
+    let _2 = (peek_val parser_env 0 : string) in
+    Obj.repr(
+# 78 "parser.mly"
+                  ( _1 ^ _2 )
+# 288 "parser.ml"
+               : 'element))
+; (fun parser_env ->
+    let _1 = (peek_val parser_env 0 : string) in
+    Obj.repr(
+# 79 "parser.mly"
+              ( _1 )
+# 295 "parser.ml"
+               : 'element))
+(* Entry main *)
+; (fun parser_env -> raise (YYexit (peek_val parser_env 0)))
+|]
+let yytables =
+  { actions=yyact;
+    transl_const=yytransl_const;
+    transl_block=yytransl_block;
+    lhs=yylhs;
+    len=yylen;
+    defred=yydefred;
+    dgoto=yydgoto;
+    sindex=yysindex;
+    rindex=yyrindex;
+    gindex=yygindex;
+    tablesize=yytablesize;
+    table=yytable;
+    check=yycheck;
+    error_function=parse_error;
+    names_const=yynames_const;
+    names_block=yynames_block }
+let main (lexfun : Lexing.lexbuf -> token) (lexbuf : Lexing.lexbuf) =
+   (yyparse yytables 1 lexfun lexbuf : Chemset.listitems)
diff --git a/kalzium/src/solver/parser.mli b/kalzium/src/solver/parser.mli
new file mode 100644
index 00000000..63d8dece
--- /dev/null
+++ b/kalzium/src/solver/parser.mli
@@ -0,0 +1,15 @@
+type token =
+  | INT of (int)
+  | PLUS
+  | MINUS
+  | LPAREN
+  | RPAREN
+  | LBRACKET
+  | RBRACKET
+  | EOF
+  | CAPITAL of (string)
+  | MINOR of (string)
+  | ARROW
+
+val main :
+  (Lexing.lexbuf  -> token) -> Lexing.lexbuf -> Chemset.listitems
diff --git a/kalzium/src/solver/parser.mly b/kalzium/src/solver/parser.mly
new file mode 100644
index 00000000..5aa83cc1
--- /dev/null
+++ b/kalzium/src/solver/parser.mly
@@ -0,0 +1,83 @@
+/***************************************************************************
+ *   Copyright (C) 2004 by Thomas Nagy                                     *
+ *   tnagy2^[email protected]                                                     *
+ *                                                                         *
+ *   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.             *
+ ***************************************************************************/
+
+/* File parser.mly */
+
+
+
+%{
+        open Chemset
+        
+        (*let parse_error somestring = Printf.printf "%s \n" somestring;;
+        *)
+%}
+
+%token <int> INT
+%token PLUS MINUS
+%token LPAREN RPAREN LBRACKET RBRACKET
+%token EOF
+%token <string> CAPITAL
+%token <string> MINOR
+%token ARROW
+%start main
+%type <Chemset.listitems> main
+%%
+
+main:
+    equation EOF { $1 }
+;
+
+
+equation:
+    expr ARROW expr { chem_negate $3; List.append $1 $3 }
+;
+
+expr:
+    item { $1::[] }
+    | item PLUS expr { $1::$3 }
+;
+
+item:
+    MINOR symbols { {ikey=$1; itbl=$2; sign=1} }
+    | INT symbols { {ikey=string_of_int($1); itbl=$2; sign=1} }
+;
+
+symbols:
+    qte { $1 }
+    | qte symbols { chem_add $1 $2 }
+;
+
+qte:
+    element INT { createchem $1 $2 }
+    | element { createchem $1 1 } 
+    | LPAREN symbols RPAREN INT { chem_mult $2 $4 }
+    | LBRACKET INT PLUS RBRACKET   { createchem "+" $2 }
+    | LBRACKET INT MINUS RBRACKET  { createchem "-" $2 }
+    | LBRACKET PLUS RBRACKET   { createchem "+" 1 }
+    | LBRACKET MINUS RBRACKET  { createchem "-" 1 }
+;
+
+element:
+    CAPITAL MINOR { $1 ^ $2 }
+    | CAPITAL { $1 } 
+;
+
+
+