Ok, this is what I have so far. I know it is not really working thus it is

not in the toplevel-Makefile. I am putting as much work in it as possible.
Currently I am doing the kmol-port, after that the PSE-stuff.

13 files changed, 1028 insertions, 10 deletions

diff --git a/noncore/apps/checkbook/TODO b/noncore/apps/checkbook/TODO
index adc9665..bc60bf4 100644
--- a/noncore/apps/checkbook/TODO
+++ b/noncore/apps/checkbook/TODO
@@ -1,5 +1 @@
 TODO:
-	* Date widget
-	* Various bug fixes
-	* Fix "the" crash
-	* Fix graph's legend not showing up
\ No newline at end of file
diff --git a/noncore/apps/checkbook/calcdlgui.cpp b/noncore/apps/checkbook/calcdlgui.cpp
new file mode 100644
index 0000000..a86374b
--- a/dev/null
+++ b/noncore/apps/checkbook/calcdlgui.cpp
@@ -0,0 +1,52 @@
+/***************************************************************************
+ *                                                                         *
+ * 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.                                   *
+ *                                                                         *
+ *  ***********************************************************************/
+#include "oxygen.h"
+
+#include <qmenubar.h>
+#include <qstatusbar.h>
+#include <qpopupmenu.h>
+#include <qlabel.h>
+#include <qapplication.h>
+#include <qpushbutton.h>
+#include <qfile.h>
+#include <qdir.h>
+#include <qvbox.h>
+#include "calcdlg.h"
+
+Oxygen::Oxygen()
+  : QMainWindow()
+{
+    this->setCaption( "Oxygen" );
+    vbox = new QVBox( this );
+    QPushButton *setButton = new QPushButton( "Settings", vbox );
+    connect ( setButton, SIGNAL( clicked() ), this, SLOT( slotSettings() ) );
+    QPushButton *calcButton = new QPushButton( "Calculations", vbox );
+    connect ( calcButton, SIGNAL( clicked() ), this, SLOT( slotCalculations() ) );
+    QPushButton *pseButton = new QPushButton( "PSE", vbox );
+    connect ( pseButton, SIGNAL( clicked() ), this, SLOT( slotPSE() ) );
+
+    setCentralWidget( vbox );
+}
+
+
+void Oxygen::close()
+{
+  QApplication::exit();
+}
+
+//SLOTS
+
+void Oxygen::slotCalculations(){ 
+    CalcDlgUI *calcDlgUI = new calcDlgUI();
+    calcDlgUI->show();
+};
+
+void Oxygen::slotSettings(){ };
+void Oxygen::slotPSE(){ };
+
diff --git a/noncore/apps/checkbook/calcdlgui.h b/noncore/apps/checkbook/calcdlgui.h
new file mode 100644
index 0000000..1e923ee
--- a/dev/null
+++ b/noncore/apps/checkbook/calcdlgui.h
@@ -0,0 +1,22 @@
+
+#include <qpe/resource.h>
+#include <qmainwindow.h>
+#include <qtoolbar.h>
+#include <qstring.h>
+#include <qpopupmenu.h>
+
+class  QVBox;
+
+class Oxygen : public QMainWindow
+{
+	Q_OBJECT
+	
+    public:
+		Oxygen();
+        QVBox *vbox;
+	private slots:
+        void slotCalculations();
+        void slotSettings();
+        void slotPSE();
+		void close();
+};
diff --git a/noncore/apps/checkbook/kmolcalc.cpp b/noncore/apps/checkbook/kmolcalc.cpp
new file mode 100644
index 0000000..e5ab736
--- a/dev/null
+++ b/noncore/apps/checkbook/kmolcalc.cpp
@@ -0,0 +1,233 @@
+/* 
+ * kmolcalc.cpp
+ *
+ * Copyright (C) 2000 Tomislav Gountchev <tomi@idiom.com>
+ */
+
+/**
+ * KMOLCALC is the calculation engine. It knows about a hashtable of user defined atomic
+ * weights and group definitions ELSTABLE, and the currently processed formula, stored
+ * as a list of elements and their coefficients, ELEMENTS. 
+ */
+
+#include "kmolcalc.h"
+#include <qdict.h>
+#include <qdir.h>
+#include <iostream.h>
+
+
+/**
+ * Construct a new calculator object.
+ */
+KMolCalc::KMolCalc() {
+  elements = new ElementList;
+  elstable = NULL;
+  readElstable();
+}
+
+KMolCalc::~KMolCalc() {
+  delete elements;
+}
+
+void KMolCalc::readElstable() {
+  weight = -1; // not calculated yet
+  if (elstable) delete elstable;
+  elstable = new QDict<SubUnit> (197, TRUE);
+  elstable->setAutoDelete(TRUE);
+  QStringList files;// = // KGlobal::dirs()->findAllResources("appdata", "kmolweights");
+//  mwfile = locateLocal("data", "kmol")+"/kmolweights";
+  QFile f(mwfile);
+  QString* latest_f = &mwfile;
+  for (uint i=0; i<files.count(); i++) {
+  	if (QFileInfo(QFile(files[i])).lastModified() > QFileInfo(QFile(*latest_f)).lastModified()) {
+		latest_f = &files[i];
+    }
+  }
+  QFile lf(*latest_f);
+  if (f.exists()) readMwfile(f);
+  if (!f.exists()) {
+  	readMwfile(lf);
+  	writeElstable();
+  } else if (QFileInfo(f).lastModified() < QFileInfo(lf).lastModified()) {
+    // announce
+    QMessageBox::information 
+      (0, "Warning:", "Found new global Mw file.\nLocal definitions will be updated.", QMessageBox::Ok);
+    readMwfile(lf);
+    writeElstable();
+  }
+  
+}
+
+
+/** 
+ * Parse a string S and construct the ElementList this->ELEMENTS, representing the 
+ * composition of S. Returns 0 if successful, or an error code (currently -1) if 
+ * parsing failed.
+ * The elements is S must be valid element or group symbols, as stored in this->ELSTABLE.
+ * See help files for correct formula syntax.
+ */
+QString KMolCalc::readFormula(const QString& s) {
+  weight = -1;
+  if (elements) delete elements;
+  elements = new ElementList;
+  return KMolCalc::readGroup(s, elements);
+}
+
+// read a formula group recursively. Called by readFormula.
+QString KMolCalc::readGroup(const QString& s, ElementList* els) {
+  if (s.isEmpty()) return QString ("Enter a formula."); //ERROR
+  int sl = s.length();
+  int i = 0;
+  QString errors ("OK");
+  bool ok = TRUE;
+  while (i < sl && ((s[i] <= '9' && s[i] >= '0') || s[i] == '.')) i++;
+  double prefix = (i == 0 ? 1 : s.left(i).toDouble(&ok)); 
+  if (! ok || i == sl || prefix == 0) return QString ("Bad formula."); // ERROR
+  ElementList* elstemp = new ElementList;
+  while (i < sl) {
+    int j = i;
+    if (s[i] == '(') {
+      ElementList* inner = new ElementList;
+      int level = 1; // count levels of nested ( ).
+      while (1) {
+	if (i++ == sl) {
+	  delete inner;
+	  delete elstemp;
+	  return QString ("Bad formula."); //ERROR
+	}
+	if (s[i] == '(') level++;
+	if (s[i] == ')') level--;
+	if (level == 0) break;
+      }
+      errors = KMolCalc::readGroup(s.mid(j+1, i-j-1), inner);
+      j = ++i;
+      while (i < sl && ((s[i] <= '9' && s[i] >= '0') || s[i] == '.')) i++;
+      double suffix = (i == j ? 1 : s.mid(j, i-j).toDouble(&ok)); 
+      if (! ok || suffix == 0) {
+	delete inner;
+	delete elstemp;
+	return QString ("Bad formula."); // ERROR
+      }      
+      inner->addTo(*elstemp, suffix);
+      delete inner;
+      inner = NULL;
+    } else if ((s[i] >= 'A' && s[i] <= 'Z') || (s[i] >= 'a' && s[i] <= 'z')) {
+      while (++i < sl && ((s[i] >= 'a' && s[i] <= 'z') || s[i] == '*' || 
+			  s[i] == '\''));
+      QString elname = s.mid(j, i-j);
+      j = i;
+      while (i < sl && ((s[i] <= '9' && s[i] >= '0') || s[i] == '.')) i++;
+      double suffix = (i == j ? 1 : s.mid(j, i-j).toDouble(&ok)); 
+      if (! ok || suffix == 0) {
+	delete elstemp;
+	return QString ("Bad formula."); // ERROR
+      }
+      SubUnit* group = elstable->find(elname);
+      if (group == 0) {
+	delete elstemp;
+	return QString ("Undefined symbol: ") + elname; //ERROR
+      }
+      group->addTo(*elstemp, suffix);
+    } else if (s[i] == '+') {
+      if (elstemp->isEmpty()) {
+	delete elstemp;
+	return QString ("Bad formula."); //ERROR
+      }
+      elstemp->addTo(*els, prefix);
+      delete elstemp;
+      errors = KMolCalc::readGroup(s.mid(i+1, sl-i-1), els);
+      return errors;
+    } else {
+      delete elstemp;
+      return QString ("Bad formula."); //ERROR
+    }
+  }
+  elstemp->addTo(*els, prefix);
+  delete elstemp;
+  return errors;
+}
+
+/**
+ * Calculate and return the molecular weight of the current chemical formula.
+ */
+double KMolCalc::getWeight() {
+  if (weight == -1) weight = elements->getWeight(elstable);
+  return weight;
+}
+
+/**
+ * Return the elemental composition of the current formula, as a string of tab-separated
+ * element - percentage pairs, separated by newlines.
+ */
+QString KMolCalc::getEA() {
+  if (weight == -1) weight = elements->getWeight(elstable);
+  if (weight == -1) return QString("ERROR: Couldn't get Mw..."); // ERROR
+  return elements->getEA(elstable, weight);
+}
+
+/**
+ * Return the empirical formula of the current compound as a QString.
+ */
+QString KMolCalc::getEmpFormula() {
+  return elements->getEmpFormula();
+}
+
+// Read the element definition file.
+void KMolCalc::readMwfile(QFile& f) {
+  if (! f.open(IO_ReadOnly)) return; //ERROR
+  QTextStream fs (&f);
+  QString line;
+  while (! fs.eof()) {
+    line = fs.readLine();
+    SubUnit* s = SubUnit::makeSubUnit(line);
+	elstable->replace(s->getName(), s);
+  }
+  f.close();
+}
+
+/**
+ * Save the element definitions file.
+ */
+void KMolCalc::writeElstable() {
+  QFile f(mwfile);
+  if (! f.open(IO_WriteOnly)) return; //ERROR
+  QTextStream fs (&f);
+  QString line;
+  QDictIterator<SubUnit> it(*elstable);
+  while (it.current()) {
+    it.current()->writeOut(line);
+    fs << line << endl;
+    ++it;
+  }
+  f.close();
+}
+
+/**
+ * Remove a group or element definition from ELSTABLE.
+ */
+void KMolCalc::undefineGroup (const QString& name) {
+  elstable->remove (name);
+}
+
+/**
+ * Add a new element name - atomic weight record to the ELSTABLE hashtable. Assumes 
+ * NAME has valid syntax.
+
+ */
+void KMolCalc::defineElement (const QString& name, double weight) {
+  Element* el = new Element(name, weight);
+  elstable->replace(name, el);
+}
+
+/**
+ * Add a new group definition to the ELSTABLE. Returns 0 if OK, -1 if parsing FORMULA
+ * fails. Assumes the syntax of grpname is correct.
+ */
+QString KMolCalc::defineGroup (const QString& grpname, const QString& formula) {
+  ElementList* els = new ElementList(grpname);
+  QString error = readGroup(formula, els);
+  if (error != "OK") return error;
+  if (els->contains(grpname)) return QString("Can't define a group recursively!\n");
+  elstable->replace(grpname, els);
+  return QString("OK");
+}
diff --git a/noncore/apps/checkbook/kmolcalc.h b/noncore/apps/checkbook/kmolcalc.h
new file mode 100644
index 0000000..c3e02f3
--- a/dev/null
+++ b/noncore/apps/checkbook/kmolcalc.h
@@ -0,0 +1,110 @@
+/* 
+ * kmolcalc.h
+ *
+ * Copyright (C) 2000 Tomislav Gountchev <tomi@idiom.com>
+ */
+
+
+#ifndef KMOLCALC_H
+#define KMOLCALC_H
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif 
+
+
+#include "kmolelements.h"
+#include <qdict.h>
+#include <qlist.h>
+#include <qstring.h>
+#include <qfile.h>
+#include <qfileinfo.h>
+#include <qmessagebox.h>
+#include <qtextstream.h>
+
+
+/**
+ * KMOLCALC is the calculation engine. It knows about a hashtable of user defined atomic
+ * weights and group definitions ELSTABLE, and the currently processed formula, stored
+ * as a list of elements and their coefficients, ELEMENTS.
+ */
+class KMolCalc {
+
+public:
+
+  KMolCalc();
+  ~KMolCalc();
+  
+  /** 
+   * Parse a string S and construct the ElementList ELEMENTS, representing the composition
+   * of S. Returns "OK" if successful, or an error message if parsing failed.
+   * The elements is S must be valid element or group symbols, as stored in ELSTABLE.
+   * See help files for correct formula syntax.
+   */
+  QString readFormula(const QString& s);
+  
+  /**
+   * Calculate and return the molecular weight of the current chemical formula.
+   */
+  double getWeight();
+  
+  /**
+   * Return the elemental composition of the current formula, as a string of tab-separated
+   * element - percentage pairs, separated by newlines.
+   */
+  QString getEA();
+
+
+  /**
+   * Return the empirical formula of the current compound as a QString.
+   */
+  QString getEmpFormula();
+
+  /**
+   * Add a new element name - atomic weight record to the ELSTABLE hashtable. 
+   * Assumes NAME has valid syntax.
+   */
+  void defineElement(const QString& name, double weight);
+
+  /**
+   * Add a new group definition to the ELSTABLE. Returns "OK" if OK, error message
+   * if parsing FORMULA fails. Assumes the syntax of NAME is correct.
+   */
+  QString defineGroup(const QString& name, const QString& formula);
+
+  /**
+   * Remove a group or element definition from ELSTABLE.
+   */
+  void undefineGroup(const QString& name);
+
+  /**
+   * Save the element definitions file.
+   */
+  void writeElstable();
+
+  /**
+   * Read the element definitions file and construct ELSTABLE.
+   */
+  void readElstable();
+
+  /**
+   * The element dictionary.
+   */
+  QDict<SubUnit>* elstable;
+
+  QString mwfile;
+
+ private:
+  double weight;
+
+  QString readGroup(const QString& s, ElementList* els);
+  void readMwfile(QFile& f);
+  ElementList* elements;
+};
+    
+#endif
+
+
+
+
+
diff --git a/noncore/apps/checkbook/kmolelements.cpp b/noncore/apps/checkbook/kmolelements.cpp
new file mode 100644
index 0000000..ce8f9c1
--- a/dev/null
+++ b/noncore/apps/checkbook/kmolelements.cpp
@@ -0,0 +1,238 @@
+/*
+ * kmolelements.cpp
+ *
+ * Copyright (C) 2000 Tomislav Gountchev <tomi@idiom.com>
+ */
+
+// classes that store and manipulate chemical formulas represented as
+// lists of elements
+
+#include <stdio.h>
+#include "kmolelements.h" 
+
+/**
+ * A generic chemical entity. Can be an element or a group. 
+ */
+SubUnit::SubUnit () {}
+
+SubUnit::~SubUnit () {}
+
+/**
+ * Construct a subunit and return a pointer to it. The syntax of LINE is 
+ * the one used in the element definition file.
+ */
+SubUnit* SubUnit::makeSubUnit(QString line) {
+  QString name, grpname, weight, coef;
+  QTextStream str (line, IO_ReadOnly);
+  str >> name;
+  if (name != "-group") { // not a group - must be represented as Element
+    str >> weight >> ws;
+    return new Element(name, weight.toDouble());
+  } 
+  else {
+    str >> grpname;
+    ElementList* els = new ElementList(grpname); // group - make an ElementList
+    while (!str.eof()) {
+      str >> name >> ws;
+      str >> coef >> ws;
+      els->addElement(name, coef.toDouble());
+    }
+    return els;
+  }
+}
+
+QString SubUnit::getName() const {
+  return QString("None");
+}
+
+/**
+ * Get the molecular weight of THIS, based on the data from ELSTABLE.
+ */
+double SubUnit::getWeight(QDict<SubUnit>* elstable) const {
+  return -1;
+}
+
+/**
+ * A group of elements. 
+ */
+ElementList::ElementList () {
+  elements = new QList<ElementCoef>;
+}
+
+ElementList::~ElementList () {
+  delete elements;
+}
+
+
+/**
+ * A group of elements. 
+ */
+ElementList::ElementList (QString name) {
+  this->name = name;
+  elements = new QList<ElementCoef>;
+}
+
+/**
+ * Write THIS to LINE, in a format suitable for the element definition file.
+ */
+void ElementList::writeOut(QString& line) {
+  QString coef;
+  line = "-group " + name;
+  ElementCoef* current = elements->first();
+  while (current != 0) {
+    line += " " + current->name + " " + coef.setNum(current->coef, 'g', 10); 
+    // precision set to 10 digits
+    current = elements->next();
+  }
+}
+
+/**
+ * Get the molecular weight of THIS, based on the data from ELSTABLE.
+ */
+double ElementList::getWeight(QDict<SubUnit>* elstable) const {
+  double weight = 0;
+  ElementCoef* current = elements->first();
+  while (current != 0) {
+    SubUnit* e = elstable->find(current->name);
+    if (e != 0) {
+      weight += (current->coef) * (e->getWeight(elstable));
+    } else return -1; //ERROR
+    current = elements->next();
+  }
+  return weight;
+}
+
+/**
+ * Return a string representing the elemental composition of THIS, as 
+ * a tab-separated element - percentage pairs, separated by newlines.
+ */
+QString ElementList::getEA(QDict<SubUnit>* elstable, double mw) const {
+  if (mw == 0) mw = getWeight(elstable);
+  QString ea;
+  QString temp;
+  ElementCoef* current = elements->first();
+  while (current != 0) {
+    SubUnit* e = elstable->find(current->name);
+    if (e != 0) {
+      double current_percent = 100 * (current->coef) * 
+	(e->getWeight(elstable)) 
+	/ mw;
+      ea += current->name + "\t" + 
+	temp.setNum(current_percent) + "\n";
+    } else return QString("ERROR!\n"); //ERROR
+    current = elements->next();
+  }
+  return ea;
+}
+      
+/**
+ * Return a string representing THIS as an empirical chemical formula.
+ */
+QString ElementList::getEmpFormula() const {
+  QString ef;
+  QString temp;
+  ElementCoef* current = elements->first();
+  while (current != 0) {
+    ef += current->name + temp.setNum(current->coef);
+    current = elements->next();
+  }
+  return ef;
+}
+
+/**
+ * Multiply THIS (i.e. the coefficient of each element) by coef.
+ */
+void ElementList::multiplyBy(double coef) {
+  ElementCoef* current = elements->first();
+  while (current != 0) {
+    (current->coef) *= coef;
+    current = elements->next();
+  }
+}
+
+/**
+ * Add THIS to ELS. THIS is not modified; ELS is.
+ */
+void ElementList::addTo(ElementList& els, double coef) {
+  ElementCoef* current = elements->first();
+  while (current != 0) {
+    els.addElement(current->name, (current->coef) * coef);
+    current = elements->next();
+  }
+}
+
+/**
+ * Add an element to THIS, with a coefficient COEF. If THIS already contains 
+ * an element with the same name, adjust its coefficient only; if not, create
+ * a new ElementCoef pair and add to THIS.
+ */
+void ElementList::addElement(const QString& name, double coef) {
+  ElementCoef* current = elements->first();
+  while (current != 0) {
+    if (current->name == name) {
+      current->coef += coef;
+      return;
+    }
+    current = elements->next();
+  }
+  elements->append(new ElementCoef(name, coef));
+}
+
+/**
+ * True iff THIS contains element named NAME.
+ */
+bool ElementList::contains(const QString& name) {
+  ElementCoef* current = elements->first();
+  while (current != 0) {
+    if (current->name == name) 
+      return true;
+    current = elements->next();
+  }
+  return false;
+}
+
+bool ElementList::isEmpty() {
+  return elements->isEmpty();
+}
+
+QString ElementList::getName() const {
+  return name;
+}
+
+/**
+ * A chemical element.
+ */
+Element::Element(const QString& n, double w) 
+  : weight(w), name(n) { }
+
+
+Element::~Element() {
+}
+
+
+/**
+ * Write THIS to LINE, in a format suitable for the element definition file.
+ */
+void Element::writeOut(QString& line) {
+  line.setNum(weight);
+  line = name + " " + line;
+}
+
+double Element::getWeight(QDict<SubUnit>* elstable) const {
+  return weight;
+}
+
+void Element::addTo(ElementList& els, double coef) {
+  els.addElement(name, coef);
+}
+
+QString Element::getName() const {
+  return name;
+}
+
+/**
+ * An element - coefficient pair. Used to represent elements within an 
+ * element list.
+ */
+ElementCoef::ElementCoef(const QString& n, double c) : name(n), coef(c) {}
+
diff --git a/noncore/apps/checkbook/kmolelements.h b/noncore/apps/checkbook/kmolelements.h
new file mode 100644
index 0000000..06d1469
--- a/dev/null
+++ b/noncore/apps/checkbook/kmolelements.h
@@ -0,0 +1,161 @@
+/*
+ * kmolelements.h 
+ *
+ * Copyright (C) 2000 Tomislav Gountchev <tomi@idiom.com>
+ */
+
+// classes that store and manipulate chemical formulas represented as
+// lists of elements
+
+#ifndef KMOLELEMENTS_H
+#define KMOLELEMENTS_H
+
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
+#include <qlist.h>
+#include <qdict.h>
+#include <qstring.h>
+#include <qtextstream.h>
+
+class ElementCoef;
+class ElementList;
+
+/**
+ * A generic chemical entity. Can be an element or a group. 
+ */
+class SubUnit {
+ public:
+
+  SubUnit();
+  
+  virtual ~SubUnit();
+
+  /**
+   * Construct a subunit and return a pointer to it. The syntax of LINE is 
+   * the one used in the element definition file.
+   */
+  static SubUnit* makeSubUnit(QString line);
+  
+  /**
+   * Get the molecular weight of THIS, based on the data from ELSTABLE.
+   */
+  virtual double getWeight(QDict<SubUnit>* elstable) const;
+
+  /**
+   * Add THIS to ELS.
+   */
+  virtual void addTo(ElementList& els, double coef) = 0;
+  
+  virtual QString getName() const;
+  
+  /**
+   * Write THIS to LINE, in the format used in the definition file.
+   */
+  virtual void writeOut(QString& line) = 0;
+};
+	       
+
+/**
+ * A group of elements. 
+ */
+class ElementList : public SubUnit {
+ public:
+  ElementList ();
+  ElementList (QString name);
+  virtual ~ElementList();
+  double getWeight(QDict<SubUnit>* elstable) const;
+  
+  /**
+   * Return a string representing the elemental composition of THIS, as 
+   * a tab-separated element - percentage pairs, separated by newlines.
+   */
+  QString getEA(QDict<SubUnit>* elstable, double mw = 0) const;
+
+  /**
+   * Return a string representing THIS as an empirical chemical formula.
+   */
+  QString getEmpFormula() const;
+  
+  /**
+   * Multiply THIS (i.e. the coefficient of each element) by coef.
+   */
+  void multiplyBy(double coef);
+
+  /**
+   * Add THIS to ELS. THIS is not modified; ELS is.
+   */
+  void addTo(ElementList& els, double coef);
+
+  /**
+   * Add an element to THIS, with a coefficient COEF.
+   */
+  void addElement(const QString& name, double coef);
+
+  /**
+   * True iff THIS contains element named NAME.
+   */
+  bool contains(const QString& name);
+
+
+  bool isEmpty();
+
+  /**
+   * The name of THIS, as a chemical group.
+   */
+  QString getName() const;
+
+  /**
+   * Write THIS to LINE, in a format suitable for the element definition file.
+   */
+  void writeOut(QString& line);
+
+ private:
+  QString name;
+  QList<ElementCoef>* elements;
+};
+
+/**
+ * A chemical element.
+ */
+class Element : public SubUnit {
+ public:
+  Element(const QString& name, double weight);
+  virtual ~Element();
+  double getWeight(QDict<SubUnit>* elstable) const;
+
+  /**
+   * Add THIS to ELS, with a coefficient COEF.  
+   */
+  void addTo(ElementList& els, double coef);
+
+  QString getName() const;
+
+  void writeOut(QString& line);
+
+ private:
+  double weight;
+  QString name;
+};
+
+
+/**
+ * An element - coefficient pair. Used to represent elements within an 
+ * element list.
+ */
+class ElementCoef {
+  friend class ElementList;
+ public:
+  ElementCoef(const QString& name, double coef = 1.0);
+ private:
+  QString name;
+  double coef;
+};
+
+
+#endif
+
+
diff --git a/noncore/apps/checkbook/main.cpp b/noncore/apps/checkbook/main.cpp
index 68f00e6..328b61f 100644
--- a/noncore/apps/checkbook/main.cpp
+++ b/noncore/apps/checkbook/main.cpp
@@ -1,11 +1,21 @@
+/***************************************************************************
+ *                                                                         *
+ * 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.                                   *
+ *                                                                         *
+ *  ***********************************************************************/
+
+
 #include <qpe/qpeapplication.h>
-#include "qcheckbook.h"
+#include "oxygen.h"
 
 int main(int argc, char **argv)
 {
-	QPEApplication app(argc, argv);
-	QCheckBook *qcb = new QCheckBook();
-	app.setMainWidget(qcb);
-	qcb->showMaximized();
-	return app.exec();
+    QPEApplication app(argc, argv);
+    Oxygen *oxi = new Oxygen();
+    app.setMainWidget(oxi);
+    oxi->showMaximized();
+    return app.exec();
 }
diff --git a/noncore/apps/checkbook/moc_kmoledit.cpp b/noncore/apps/checkbook/moc_kmoledit.cpp
new file mode 100644
index 0000000..a94e93b
--- a/dev/null
+++ b/noncore/apps/checkbook/moc_kmoledit.cpp
@@ -0,0 +1,95 @@
+/****************************************************************************
+** KMolEdit meta object code from reading C++ file 'kmoledit.h'
+**
+** Created: Sun Sep 15 15:21:49 2002
+**      by: The Qt MOC ($Id$)
+**
+** WARNING! All changes made in this file will be lost!
+*****************************************************************************/
+
+#if !defined(Q_MOC_OUTPUT_REVISION)
+#define Q_MOC_OUTPUT_REVISION 9
+#elif Q_MOC_OUTPUT_REVISION != 9
+#error "Moc format conflict - please regenerate all moc files"
+#endif
+
+#include "kmoledit.h"
+#include <qmetaobject.h>
+#include <qapplication.h>
+
+
+
+const char *KMolEdit::className() const
+{
+    return "KMolEdit";
+}
+
+QMetaObject *KMolEdit::metaObj = 0;
+
+void KMolEdit::initMetaObject()
+{
+    if ( metaObj )
+	return;
+    if ( qstrcmp(QDialog::className(), "QDialog") != 0 )
+	badSuperclassWarning("KMolEdit","QDialog");
+    (void) staticMetaObject();
+}
+
+#ifndef QT_NO_TRANSLATION
+
+QString KMolEdit::tr(const char* s)
+{
+    return qApp->translate( "KMolEdit", s, 0 );
+}
+
+QString KMolEdit::tr(const char* s, const char * c)
+{
+    return qApp->translate( "KMolEdit", s, c );
+}
+
+#endif // QT_NO_TRANSLATION
+
+QMetaObject* KMolEdit::staticMetaObject()
+{
+    if ( metaObj )
+	return metaObj;
+    (void) QDialog::staticMetaObject();
+#ifndef QT_NO_PROPERTIES
+#endif // QT_NO_PROPERTIES
+    typedef bool (KMolEdit::*m1_t0)();
+    typedef bool (QObject::*om1_t0)();
+    typedef void (KMolEdit::*m1_t1)();
+    typedef void (QObject::*om1_t1)();
+    typedef void (KMolEdit::*m1_t2)();
+    typedef void (QObject::*om1_t2)();
+    m1_t0 v1_0 = &KMolEdit::edit;
+    om1_t0 ov1_0 = (om1_t0)v1_0;
+    m1_t1 v1_1 = &KMolEdit::save;
+    om1_t1 ov1_1 = (om1_t1)v1_1;
+    m1_t2 v1_2 = &KMolEdit::undo;
+    om1_t2 ov1_2 = (om1_t2)v1_2;
+    QMetaData *slot_tbl = QMetaObject::new_metadata(3);
+    QMetaData::Access *slot_tbl_access = QMetaObject::new_metaaccess(3);
+    slot_tbl[0].name = "edit()";
+    slot_tbl[0].ptr = (QMember)ov1_0;
+    slot_tbl_access[0] = QMetaData::Private;
+    slot_tbl[1].name = "save()";
+    slot_tbl[1].ptr = (QMember)ov1_1;
+    slot_tbl_access[1] = QMetaData::Private;
+    slot_tbl[2].name = "undo()";
+    slot_tbl[2].ptr = (QMember)ov1_2;
+    slot_tbl_access[2] = QMetaData::Private;
+    metaObj = QMetaObject::new_metaobject(
+	"KMolEdit", "QDialog",
+	slot_tbl, 3,
+	0, 0,
+#ifndef QT_NO_PROPERTIES
+	0, 0,
+	0, 0,
+#endif // QT_NO_PROPERTIES
+	0, 0 );
+    metaObj->set_slot_access( slot_tbl_access );
+#ifndef QT_NO_PROPERTIES
+#endif // QT_NO_PROPERTIES
+    return metaObj;
+}
diff --git a/noncore/apps/checkbook/opie-oxygen.control b/noncore/apps/checkbook/opie-oxygen.control
new file mode 100644
index 0000000..4f84158
--- a/dev/null
+++ b/noncore/apps/checkbook/opie-oxygen.control
@@ -0,0 +1,9 @@
+Files: bin/oxygen apps/Applications/oxygencheckbook.desktop pics/oxygen/oxygen.png
+Priority: optional
+Section: applications
+Maintainer: Carsten Niehaus <cniehaus@handhelds.org>
+Architecture: arm
+Version: $QPE_VERSION-$SUB_VERSION
+Depends: opie-base ($QPE_VERSION)
+Description: Periodic System of the Elements 
+ The chemistry application for the Opie-environment
diff --git a/noncore/apps/checkbook/oxygen.cpp b/noncore/apps/checkbook/oxygen.cpp
new file mode 100644
index 0000000..a86374b
--- a/dev/null
+++ b/noncore/apps/checkbook/oxygen.cpp
@@ -0,0 +1,52 @@
+/***************************************************************************
+ *                                                                         *
+ * 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.                                   *
+ *                                                                         *
+ *  ***********************************************************************/
+#include "oxygen.h"
+
+#include <qmenubar.h>
+#include <qstatusbar.h>
+#include <qpopupmenu.h>
+#include <qlabel.h>
+#include <qapplication.h>
+#include <qpushbutton.h>
+#include <qfile.h>
+#include <qdir.h>
+#include <qvbox.h>
+#include "calcdlg.h"
+
+Oxygen::Oxygen()
+  : QMainWindow()
+{
+    this->setCaption( "Oxygen" );
+    vbox = new QVBox( this );
+    QPushButton *setButton = new QPushButton( "Settings", vbox );
+    connect ( setButton, SIGNAL( clicked() ), this, SLOT( slotSettings() ) );
+    QPushButton *calcButton = new QPushButton( "Calculations", vbox );
+    connect ( calcButton, SIGNAL( clicked() ), this, SLOT( slotCalculations() ) );
+    QPushButton *pseButton = new QPushButton( "PSE", vbox );
+    connect ( pseButton, SIGNAL( clicked() ), this, SLOT( slotPSE() ) );
+
+    setCentralWidget( vbox );
+}
+
+
+void Oxygen::close()
+{
+  QApplication::exit();
+}
+
+//SLOTS
+
+void Oxygen::slotCalculations(){ 
+    CalcDlgUI *calcDlgUI = new calcDlgUI();
+    calcDlgUI->show();
+};
+
+void Oxygen::slotSettings(){ };
+void Oxygen::slotPSE(){ };
+
diff --git a/noncore/apps/checkbook/oxygen.h b/noncore/apps/checkbook/oxygen.h
new file mode 100644
index 0000000..1e923ee
--- a/dev/null
+++ b/noncore/apps/checkbook/oxygen.h
@@ -0,0 +1,22 @@
+
+#include <qpe/resource.h>
+#include <qmainwindow.h>
+#include <qtoolbar.h>
+#include <qstring.h>
+#include <qpopupmenu.h>
+
+class  QVBox;
+
+class Oxygen : public QMainWindow
+{
+	Q_OBJECT
+	
+    public:
+		Oxygen();
+        QVBox *vbox;
+	private slots:
+        void slotCalculations();
+        void slotSettings();
+        void slotPSE();
+		void close();
+};
diff --git a/noncore/apps/checkbook/oxygen.pro b/noncore/apps/checkbook/oxygen.pro
new file mode 100644
index 0000000..f8e0197
--- a/dev/null
+++ b/noncore/apps/checkbook/oxygen.pro
@@ -0,0 +1,18 @@
+TEMPLATE	= app
+CONFIG		= qt warn_on release
+HEADERS		= oxygen.h \
+            kmolcalc.h \
+            kmolelements.h
+
+SOURCES		= main.cpp \
+		  oxygen.cpp \
+          kmolcalc.cpp \
+          kmolelements.cpp 
+INCLUDEPATH     += $(OPIEDIR)/include
+DEPENDPATH      += $(OPIEDIR)/include
+LIBS		+= -lqpe
+INTERFACES	= calcdlg.ui
+TARGET 		= oxygen
+DESTDIR		= $(OPIEDIR)/bin
+
+TRANSLATIONS = ../../../i18n/de/oxygen.ts