From grh25 at cornell.edu  Tue Oct  4 22:01:35 2005
From: grh25 at cornell.edu (Geoffrey Hutchison)
Date: Tue, 4 Oct 2005 16:01:35 -0400
Subject: [Kalzium] Kalziums datastructure and Blue Obelisk repository
In-Reply-To: <200509140919.55523.inge@lysator.liu.se>
References: <200509131057.41032.cniehaus@gmx.de>
	<200509131147.11225.e.willighagen@science.ru.nl>
	<200509131440.30630.cniehaus@gmx.de>
	<200509140919.55523.inge@lysator.liu.se>
Message-ID: <768B2019-7937-4B53-9CD8-0F5547EB7DF0@cornell.edu>

> However, if we want to make this a standard, we might want to take  
> the time to
> do it right, now that we have the experience.  There is a very simple
> principle when designing XML schemas:

So far, the Blue Obelisk repository has tried to sick to CML (and  
STMML) elements. This is not required, although it seems like a  
better idea to stick to an existing schema and our own namespace and  
dictionary than to create a whole new XML schema.

(And if we encounter items which do not fit well in CML or STMML,  
perhaps we can push for them to be added to the standard. :-)

> One thing that we should take special care of is the issue of
> internationalization and localization.
> ...
> I don't know how if there is an established way of doing this for  
> XML files,
> but I think we should be careful.  One way to do it would be to  
> split the XML
> file in two parts: the generic one and the i18n:ed one.  That is  
> probably not
> so easy to get right.

After doing some searching, there's an attribute xml:lang="en" or  
xml:lang="ja" for specifying the language of a particular piece of text.

http://www.opentag.com/xfaq_lang.htm#lang_xmllang

But this same FAQ also mentions:
> Instead, use one document per language, at least for the material  
> you send to the localizer. If needed, after translation, you can  
> group all entries in a single file, but treat that step as a  
> "compilation-like" step to be done after localization.

Since the current repository XML is done in a "compilation-like step"  
via Perl scripts, this should be pretty easy.

Right now, the Blue Obelisk elements.xml is generated by a Perl  
script from the composite text files. I think this might be the  
easiest way to continue -- we can easily change the syntax by editing  
the scripts, and AFAIK it can be difficult to merge the XML files  
automatically.

So perhaps we can start to split out the Kalzium properties into  
separate files -- and any bit of text for translation can be set in a  
file with a given language code? For example element-name-en.txt,  
element-name-fr.txt...

If this sounds good, I can help with splitting out the property  
files, although my schedule is pretty busy for the next week or so.

Cheers,
-Geoff

From pfeifle at kde.org  Thu Oct  6 16:17:15 2005
From: pfeifle at kde.org (Kurt Pfeifle)
Date: 6 Oct 2005 14:17:15 -0000
Subject: [Kalzium] [Bug 113971] New: klik://kalzium delivers old version
	(Kalzium 1.2)
Message-ID: <20051006161706.113971.pfeifle@kde.org>  

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=113971         
           Summary: klik://kalzium  delivers old version (Kalzium 1.2)
           Product: kalzium
           Version: 1.2
          Platform: unspecified
        OS/Version: Linux
            Status: NEW
          Severity: wishlist
          Priority: NOR
         Component: general
        AssignedTo: kalzium kde org
        ReportedBy: pfeifle kde org


Version:           1.2 (using KDE 3.4.2 Level "b" , SUSE 9.3 UNSUPPORTED)
Compiler:          gcc version 3.3.5 20050117 (prerelease) (SUSE Linux)
OS:                Linux (i686) release 2.6.11.4-20a-default

Carsten,

I saw your "complaint" in #scribus that the klik://kalzium link didnt bring you a single additional bug report. Well, now wonder: 

 a) you didnt promote the possility yet, did you?

 b) what <a href="klik://kalzium">klik://kalzium</a> currently delivers is version 1.2

Here is how you can fix that:

* provide a stable link (I suggest to name it "kalzium-latest")
  that has always the compiled version you want to be tested.

* compile this binary preferrably in a Debian Sarge environment
  (this way it is more portable to other distros)

* build against kdelibs 3.3 (if this doesnt hurt your app's
  functions too much)

* preferably, build .debs (or find someone who does)

* otherwise, provide just a *.tar.gz with all the binaries, libs,
  .desktop and asssorted files

This way, we can set up a <href="klik://kalzium-latest">klik://kalzium-latest</a> link, which will deliver a "recipe" to the klik client that will download your .tar.gz (from whereever you can host it) and let the client transform it into a klik-ified .cmg file. Then blog about it (or do some other ringing, whisling, shouting, belling) whenever you want people to testdrive a new binary development release. (Ok, we may need to have 2-3 iterations of the recipe before it works fully and for most people).

Just try <a href="klik://scribus-latest">klik://scribus-latest</a> to see how well this works. If you watch closely, you'll see which binaries the klik-client downloads (.debs from debian.scribus.net), because klik informs you with a kdialog popup before it proceeds.

It is up to you to utilize this service for your development effort.


Cheers,
Kurt

From cniehaus at gmx.de  Sat Oct  8 12:13:15 2005
From: cniehaus at gmx.de (Carsten Niehaus)
Date: Sat, 8 Oct 2005 12:13:15 +0200
Subject: [Kalzium] XML-Format for (chemical) spectra
Message-ID: <200510081213.20092.cniehaus@gmx.de>

Moin moin

In Kalzium we have data for spectra (emmission and absorbtion). I invented the 
format and as I don't know that much about XML I am confident that you have 
some good ideas. I am currently writing a XML-reader/writer for those spectra 
so that several KDE-apps can make use of that XML (Kalzium, the new 
SpectrumManager, perhaps KStars). This reader/writer will be in libkdeedu for 
starters.
As I want to merge Kalziums data with BO it would be smart to define a good 
common format now :-)

This is the current format:

<spectra>
            <spectrum intensity="50" wavelength="949.7430" aki="0.34375" 
energy1="0.0000" energy2="105291.6443" electronconfig1="1s" 
electronconfig2="5p" term1="2S" term2="2P&deg;" J1="1/2" J2="1/2.3/2" />
</spectra>

The 2P&deg; means
  
  2P°

&deg; is defined as ° somewhere in Kalzium.

If possible a quick answer would be nice so that I can continue my work ;-)

Carsten
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From c.steinbeck at uni-koeln.de  Sun Oct  9 14:41:36 2005
From: c.steinbeck at uni-koeln.de (Christoph Steinbeck)
Date: Sun, 09 Oct 2005 14:41:36 +0200
Subject: [Kalzium] [Blue-obelisk] XML-Format for (chemical) spectra
In-Reply-To: <200510081213.20092.cniehaus@gmx.de>
References: <200510081213.20092.cniehaus@gmx.de>
Message-ID: <43491000.1080601@uni-koeln.de>

Carsten Niehaus wrote:

> If possible a quick answer would be nice so that I can continue my work ;-)

Um, I was looking hard, but I could not find a question to answer. :-)

Cheers,

Chris

-- 
Priv. Doz. Dr. Christoph Steinbeck (c.steinbeck at uni-koeln.de)
Head of the Research Group for Molecular Informatics
Cologne University BioInformatics Center (http://almost.cubic.uni-koeln.de)
Zülpicher Str. 47, 50674 Cologne
Tel: +49(0)221-470-7426   Fax: +49 (0) 221-470-7786

What is man but that lofty spirit - that sense of enterprise.
... Kirk, "I, Mudd," stardate 4513.3..

From CNiehaus at gmx.de  Mon Oct 10 11:01:19 2005
From: CNiehaus at gmx.de (Carsten Niehaus)
Date: Mon, 10 Oct 2005 11:01:19 +0200 (MEST)
Subject: [Kalzium] [Blue-obelisk] XML-Format for (chemical) spectra
References: <43491000.1080601@uni-koeln.de>
Message-ID: <16504.1128934879@www4.gmx.net>

Hi

> Betreff: Re: [Blue-obelisk] XML-Format for (chemical) spectra

> Carsten Niehaus wrote:
> 
> > If possible a quick answer would be nice so that I can continue my work
> ;-)
> 
> Um, I was looking hard, but I could not find a question to answer. :-)
> 

Yeah ;-) The question was in the topic... somehow. Ok, here it is:

Question: Is this format ok for BO? It is for me but as I stated, I don't
know to much about XML.

<spectra>
 <spectrum 
 intensity="50" 
 wavelength="949.7430" 
 aki="0.34375" 
 energy1="0.0000" energy2="105291.6443" 
 electronconfig1="1s" electronconfig2="5p" 
 term1="2S" term2="2P&deg;" 
 J1="1/2" J2="1/2.3/2" 
 />
</spectra>

-- 
Lust, ein paar Euro nebenbei zu verdienen? Ohne Kosten, ohne Risiko!
Satte Provisionen für GMX Partner: http://www.gmx.net/de/go/partner

From franke.daniel at gmail.com  Mon Oct 10 17:42:34 2005
From: franke.daniel at gmail.com (Daniel Franke)
Date: Mon, 10 Oct 2005 17:42:34 +0200
Subject: [Kalzium] [Blue-obelisk] XML-Format for (chemical) spectra
In-Reply-To: <16504.1128934879@www4.gmx.net>
References: <43491000.1080601@uni-koeln.de> <16504.1128934879@www4.gmx.net>
Message-ID: <200510101742.34441.franke.daniel@gmail.com>


> Question: Is this format ok for BO? It is for me but as I stated, I don't
> know to much about XML.
>
> <spectra>
>  <spectrum
>  intensity="50"
>  wavelength="949.7430"
>  aki="0.34375"
>  energy1="0.0000" energy2="105291.6443"
>  electronconfig1="1s" electronconfig2="5p"
>  term1="2S" term2="2P&deg;"
>  J1="1/2" J2="1/2.3/2"
>  />
> </spectra>

Carsten, 

from what I know of XML, one should try to favour elements over attributes. 
In this case:

<spectra>
  <spectrum>
    <intensity>50</intensity>
    <wavelength>949.7430</wavelength>
    <aki>0.34375</aki>
    <energy>0.0000</energy>
    <energy>105291.6443</energy>
    <electronconfig>1s</electronconfig>
    <electronconfig>5p</electronconfig>
    <term>2S</term>
    <term>2P&deg;</term>
    <J>1/2</J>
    <J>1/2.3/2</J>
  </spectrum>
</spetra>

Your suggestion is somewhat troublesome if
 a) there is a n-th energy/electronconfig/term/J 
 b) any of your attributes would need an attribute 

Using elements instead covers both issues, adding attributes, e.g. additional 
descriptive attributes/tags is easy, and multiple 
energy/electronconfig/term/J are no problem either. In addition, an 
appropiate Schema may limit the number of occurences of any of these elements 
to two (if necessary).

Regards
	Daniel


P.S. A good read for XML/Schema is

    Eric van der Vlist, 2002
    XML Schema
    ISBN 0596002521

http://www.amazon.com/exec/obidos/tg/detail/-/0596002521/qid=1128958625/sr=8-2/ref=pd_bbs_2/103-2217024-1902234?v=glance&s=books&n=507846





From pm286 at cam.ac.uk  Wed Oct 12 15:40:38 2005
From: pm286 at cam.ac.uk (peter murray-rust)
Date: Wed, 12 Oct 2005 14:40:38 +0100
Subject: [Kalzium] [Blue-obelisk] XML-Format for (chemical) spectra
In-Reply-To: <16504.1128934879@www4.gmx.net>
References: <43491000.1080601@uni-koeln.de>
 <16504.1128934879@www4.gmx.net>
Message-ID: <6.2.3.4.0.20051012143728.0355c068@pop.hermes.cam.ac.uk>

At 10:01 10/10/2005, Carsten Niehaus wrote:
>Hi
>
> > Betreff: Re: [Blue-obelisk] XML-Format for (chemical) spectra
>
> > Carsten Niehaus wrote:
> >
> > > If possible a quick answer would be nice so that I can continue my work
> > ;-)
> >
> > Um, I was looking hard, but I could not find a question to answer. :-)
> >
>
>Yeah ;-) The question was in the topic... somehow. Ok, here it is:
>
>Question: Is this format ok for BO? It is for me but as I stated, I don't
>know to much about XML.

We (i.e. BO) are working on CMLSpect and have 
currently looked at NMR and IR spectra - it 
shouldn't take too much to adapt to electronic 
spectra. It could be useful to outline your 
vocabulary requirements. Remember that in general 
every new concept needs someone to write code for it.

P.



><spectra>
>  <spectrum
>  intensity="50"
>  wavelength="949.7430"
>  aki="0.34375"
>  energy1="0.0000" energy2="105291.6443"
>  electronconfig1="1s" electronconfig2="5p"
>  term1="2S" term2="2P&deg;"
>  J1="1/2" J2="1/2.3/2"
>  />
></spectra>
>
>--
>Lust, ein paar Euro nebenbei zu verdienen? Ohne Kosten, ohne Risiko!
>Satte Provisionen für GMX Partner: http://www.gmx.net/de/go/partner
>_______________________________________________
>Blue-obelisk mailing list
>Blue-obelisk at hardly.cubic.uni-koeln.de
>http://hardly.cubic.uni-koeln.de/mailman/listinfo/blue-obelisk

Peter Murray-Rust
Unilever Centre for Molecular Sciences Informatics
University of Cambridge,
Lensfield Road,  Cambridge CB2 1EW, UK
+44-1223-763069 


From cniehaus at gmx.de  Thu Oct 13 14:01:33 2005
From: cniehaus at gmx.de (Carsten Niehaus)
Date: Thu, 13 Oct 2005 12:01:33 +0000
Subject: [Kalzium] KDE/kdeedu/libkdeedu
Message-ID: <1129204893.313629.861.nullmailer@svn.kde.org>

SVN commit 470232 by cniehaus:

Add libphysics. This library will contain 
- all read/write code for the xml needed by Kalzium
- the "physical" classes needed by Kalzium and perhaps KStars
  -- element.h
  -- spectrum.h
  -- isotope.h

CCMAIL:kalzium at kde.org


 A             libphysics (directory)  
 A             libphysics/Makefile.am  
 A             libphysics/element.cpp   [License: GPL (v2+)]
 A             libphysics/element.h   [License: GPL (v2+)]
 A             libphysics/isotope.cpp   [License: GPL (v2+)]
 A             libphysics/isotope.h   [License: GPL (v2+)]
 A             libphysics/spectrum.cpp   [License: GPL (v2+)]
 A             libphysics/spectrum.h   [License: GPL (v2+)]
 A             libphysics/spectrumparser.cpp   [License: GPL (v2+)]
 A             libphysics/spectrumparser.h   [License: GPL (v2+)]



From cniehaus at gmx.de  Fri Oct 14 12:35:17 2005
From: cniehaus at gmx.de (Carsten Niehaus)
Date: Fri, 14 Oct 2005 12:35:17 +0200
Subject: [Kalzium] First draft of kalziums data as XML (CML) for BlueObelisk
Message-ID: <200510141235.18150.cniehaus@gmx.de>

Moin

After reading some cml-files I wrote some code which converts Kalzium 
spectrum-data to (hopefully) cml-valid  XML. This is the first draft.

<cml>
	<spectrumList>
		<spectrum>
			<metadataList>
				<metadata content="National Institute of Standards and Technology" 
name="OWNER" />
				<metadata content="1" name="Elementnumber" />
			</metadataList>
			<peakList>
				<peak yUnits="Intensity relative to 1000" xUnits="nm" yValue="800" id="" 
xValue="182.589" >
					<scalar title="aki">123.456</scalar>
					<scalar title="energy1" />
					<scalar title="energy2" />
					<scalar title="term1" />
					<scalar title="term2" />
					<scalar title="electronconfig1" />
					<scalar title="electronconfig2" />
					<scalar title="J1" />
					<scalar title="J2" />
				</peak>
			</peakList>
		</spectrum>
	</spectrumList>
</cml>


I didn't finish some codeconversion (for example, only "aki") because i wanted 
to have some feedback first. Furthermore, I only included one peak to keep 
this mail short.


* Is this valid CML/XML?
* Is the Position of the <scalar>-elements correct?
* What kind of metadata is needed?
* Is the OWNER-metadata sufficient in terms of Copyright?

Carsten

From pm286 at cam.ac.uk  Fri Oct 14 17:42:35 2005
From: pm286 at cam.ac.uk (peter murray-rust)
Date: Fri, 14 Oct 2005 16:42:35 +0100
Subject: [Kalzium] [Blue-obelisk] First draft of kalziums data as XML
 (CML) for BlueObelisk
In-Reply-To: <200510141235.18150.cniehaus@gmx.de>
References: <200510141235.18150.cniehaus@gmx.de>
Message-ID: <6.2.3.4.0.20051014164109.0489f4c8@pop.hermes.cam.ac.uk>

At 11:35 14/10/2005, Carsten Niehaus wrote:
This looks quite close to what we need. We have been working today on 
CMLSpect and we'll see whether it parses. Will make some (hopefully 
minor) changes and repost it.

P.


>Moin
>
>After reading some cml-files I wrote some code which converts Kalzium
>spectrum-data to (hopefully) cml-valid  XML. This is the first draft.
>
><cml>
>         <spectrumList>
>                 <spectrum>
>                         <metadataList>
>                                 <metadata content="National 
> Institute of Standards and Technology"
>name="OWNER" />
>                                 <metadata content="1" name="Elementnumber" />
>                         </metadataList>
>                         <peakList>
>                                 <peak yUnits="Intensity relative to 
> 1000" xUnits="nm" yValue="800" id=""
>xValue="182.589" >
>                                         <scalar title="aki">123.456</scalar>
>                                         <scalar title="energy1" />
>                                         <scalar title="energy2" />
>                                         <scalar title="term1" />
>                                         <scalar title="term2" />
>                                         <scalar title="electronconfig1" />
>                                         <scalar title="electronconfig2" />
>                                         <scalar title="J1" />
>                                         <scalar title="J2" />
>                                 </peak>
>                         </peakList>
>                 </spectrum>
>         </spectrumList>
></cml>
>
>
>I didn't finish some codeconversion (for example, only "aki") 
>because i wanted
>to have some feedback first. Furthermore, I only included one peak to keep
>this mail short.
>
>
>* Is this valid CML/XML?
>* Is the Position of the <scalar>-elements correct?
>* What kind of metadata is needed?
>* Is the OWNER-metadata sufficient in terms of Copyright?
>
>Carsten
>_______________________________________________
>Blue-obelisk mailing list
>Blue-obelisk at hardly.cubic.uni-koeln.de
>http://hardly.cubic.uni-koeln.de/mailman/listinfo/blue-obelisk

Peter Murray-Rust
Unilever Centre for Molecular Sciences Informatics
University of Cambridge,
Lensfield Road,  Cambridge CB2 1EW, UK
+44-1223-763069 


From cniehaus at gmx.de  Sun Oct 16 14:15:53 2005
From: cniehaus at gmx.de (Carsten Niehaus)
Date: Sun, 16 Oct 2005 12:15:53 +0000
Subject: [Kalzium] KDE/kdeedu/libkdeedu/libscience
Message-ID: <1129464953.364524.17219.nullmailer@svn.kde.org>

SVN commit 471100 by cniehaus:

* Ok, Tsoots of Scribus fame convinced me that SAX is better than DOM for my usecase. He wrote the based code, I ported to read Qt-code.
* This commit removea the QDom-implementation
* Four datasets (number, mass, name and symbol) are now working
CCMAIL:kalzium at kde.org


 M  +1 -4      Makefile.am  
 M  +30 -79    elementparser.cpp  
 M  +42 -37    elementparser.h  
 M  +5 -1      tests/xmlreadingtest.cpp  


--- trunk/KDE/kdeedu/libkdeedu/libscience/Makefile.am #471099:471100
@@ -4,16 +4,13 @@
 
 lib_LTLIBRARIES = libscience.la
 
-bin_PROGRAMS = libscience
-
 libscience_la_SOURCES = \
 	element.cpp \
 	spectrum.cpp \
 	isotope.cpp \
 	spectrumparser.cpp \
 	elementparser.cpp \
-	tempunit.cpp \
-	main.cpp
+	tempunit.cpp
 
 libscience_la_LDFLAGS = $(all_libraries) -no-undefined -version-info 4:0:0
 libscience_la_LIBADD = $(LIB_KDEUI) 
--- trunk/KDE/kdeedu/libkdeedu/libscience/elementparser.cpp #471099:471100
@@ -21,81 +21,13 @@
 #include <kdebug.h>
 #include <kurl.h>
 
-QList<Element*> ElementParser::loadAllElements( const QDomDocument& dataDocument )
-{
-	QList<Element*> elementList;
-	QStringList elementSymbols = loadElementSymbols(dataDocument);
-
-	foreach(QString symbol, elementSymbols)
-	{
-		Element *e = loadElement( symbol, dataDocument );
-		if ( e )
-			elementList.append( e );
-	}
-
-	return elementList;
-}
-
-QStringList ElementParser::loadElementSymbols( const QDomDocument& dataDocument )
-{
-	QStringList symbolList;
-
-	//xml-reading
-	QDomNodeList elementNodes = dataDocument.elementsByTagName( "elementType" );
-
-	const uint count = elementNodes.count();
-
-	for ( uint i = 0; i < count; ++i )
-	{
-		QString symbol = elementNodes.item( i ).toElement().attribute("id");
-		symbolList.append( symbol );
-	}
-
-	return symbolList;
-}
-
-Element* ElementParser::loadElement( const QString& symbol, const QDomDocument& dataDocument )
-{
-	QDomNodeList elementNodes = dataDocument.elementsByTagName( "elementType" );
-	const uint count = elementNodes.count();
-
-	for ( uint i = 0; i < count; ++i )
-	{
-		QDomElement currentElement = elementNodes.item( i ).toElement();
-		QString currentSymbol = currentElement.attribute("id");
-
-		if ( currentSymbol == symbol )
-			return loadElement( currentElement );
-	}
-
-	//the element was not found...
-	return 0;
-}
-
-Element* ElementParser::loadElement( const QDomElement& element )
-{
-	Element *e = new Element();
-
-	QString symbol = element.attribute( "id" );
-	
-	QDomNodeList scalarList = element.elementsByTagName( "scalar" );
-
-	e->setSymbol( symbol );
-
-	kdDebug() << "scalarList::count of element " << e->symbol() << ": " << scalarList.count() << endl;
-	
-	return e;
-}
-
-
-
-
-
-////////////
-//
-
 ElementSaxParser::ElementSaxParser()
-: QXmlDefaultHandler(), currentElement_(0), inElement_(false), inName_(false)
+: QXmlDefaultHandler(), currentElement_(0), 
+	inElement_(false), 
+	inName_(false), 
+	inMass_( false ),
+	inAtomicNumber_(false), 
+	inSymbol_( false )
 {
 }
 
@@ -108,17 +40,24 @@
 		for (int i = 0; i < attrs.length(); ++i) {
 			if (attrs.value(i) == "bo:name")
 				inName_ = true;
+			if (attrs.value(i) == "bo:mass")
+				inMass_ = true;
+			if (attrs.value(i) == "bo:atomicNumber")
+				inAtomicNumber_ = true;
+			if (attrs.value(i) == "bo:symbol")
+				inSymbol_ = true;
 		}
 	}
 	return true;
 }
-
-bool ElementSaxParser::endElement(const QString&, const QString &localName, const QString&, const QXmlAttributes&)
+		
+bool ElementSaxParser::endElement (  const QString & namespaceURI, const QString & localName, const QString & qName )
 {
-	if (localName == "elementType") {
-		inElement_ = false;
+	if ( localName == "elementType" )
+	{
 		elements_.append(currentElement_);
 		currentElement_ = 0;
+		inElement_ = false;
 	}
 	return true;
 }
@@ -126,10 +65,22 @@
 bool ElementSaxParser::characters(const QString &ch)
 {
 	if (inName_) {
-		kdDebug() << "nimi: " << ch << endl;
 		currentElement_->setName(ch);
 		inName_ = false;
 	}
+	if ( inMass_ ){
+		currentElement_->setMass( ch.toDouble() );
+		inMass_ = false;
+	}
+	if (inSymbol_) {
+		currentElement_->setSymbol(ch);
+		inSymbol_ = false;
+	}
+	if (inAtomicNumber_) {
+		currentElement_->setNumber(ch.toInt());
+		inAtomicNumber_ = false;
+	}
+
 	return true;
 }
 
--- trunk/KDE/kdeedu/libkdeedu/libscience/elementparser.h #471099:471100
@@ -22,56 +22,61 @@
 
 class Element;
 
-/**
- * This class gives access to the elements which are listed in a CML-file
- * @author Carsten Niehaus <cniehaus at kde.org>
- */
-class ElementParser
-{
-	public:
-		/**
-		 * @return the Element with the symbol symbol
-		 * @param dataDocument the document to parse
-		 * @param symbol the symbol of the Element which is looked for
-		 */
-		static Element* loadElement( const QString& symbol, const QDomDocument& dataDocument );
-		
-		/**
-		 * @return the element represented in the QDomeElement @p element
-		 * @param element the XML-representation of the Element
-		 */
-		static Element* loadElement( const QDomElement& element );
+//X /**
+//X  * This class gives access to the elements which are listed in a CML-file
+//X  * @author Carsten Niehaus <cniehaus at kde.org>
+//X  */
+//X class ElementParser
+//X {
+//X 	public:
+//X 		/**
+//X 		 * @return the Element with the symbol symbol
+//X 		 * @param dataDocument the document to parse
+//X 		 * @param symbol the symbol of the Element which is looked for
+//X 		 */
+//X 		static Element* loadElement( const QString& symbol, const QDomDocument& dataDocument );
+//X 		
+//X 		/**
+//X 		 * @return the element represented in the QDomeElement @p element
+//X 		 * @param element the XML-representation of the Element
+//X 		 */
+//X 		static Element* loadElement( const QDomElement& element );
+//X 
+//X 		/**
+//X 		 * @return all chemical elements in the xml-file
+//X 		 * @param dataDocument the document to parse
+//X 		 */
+//X 		static QList<Element*> loadAllElements(const QDomDocument& dataDocument);
+//X 		
+//X 	private:
+//X 		/**
+//X 		 * @return a QStringList with the symbols of all known elements
+//X 		 * @param dataDocument the document to parse
+//X 		 */
+//X 		static QStringList loadElementSymbols(const QDomDocument& dataDocument);
+//X 
+//X };
 
-		/**
-		 * @return all chemical elements in the xml-file
-		 * @param dataDocument the document to parse
-		 */
-		static QList<Element*> loadAllElements(const QDomDocument& dataDocument);
-		
-	private:
-		/**
-		 * @return a QStringList with the symbols of all known elements
-		 * @param dataDocument the document to parse
-		 */
-		static QStringList loadElementSymbols(const QDomDocument& dataDocument);
 
-};
-
-
 class ElementSaxParser : public QXmlDefaultHandler
 {
 	public:
 		ElementSaxParser();
 		bool startElement(const QString&, const QString &localName, const QString&, const QXmlAttributes &attrs);
-		bool endElement(const QString&, const QString &localName, const QString&, const QXmlAttributes&);
+
+		bool endElement (  const QString & namespaceURI, const QString & localName, const QString & qName );
+		
 		bool characters(const QString &ch);
+
 		QList<Element*> getElements();
 
 	private:
 		Element *currentElement_;
 		QList<Element*> elements_;
 		bool inElement_;
-		bool inName_;
-
+		bool inName_,
+			 inMass_,
+			 inSymbol_,
+			 inAtomicNumber_;
 };
 #endif // ELEMENTPARSER_H
--- trunk/KDE/kdeedu/libkdeedu/libscience/tests/xmlreadingtest.cpp #471099:471100
@@ -22,7 +22,11 @@
 	QList<Element*> v = parser->getElements();
 
 	foreach( Element* e, v ){
-		kdDebug() << "Elementname: " << e->elementName() << ", mass: " << e->mass() << endl;
+		if ( e )
+			kdDebug() << "(" << e->number() << ", " <<
+				       e->elementName() << ", " << e->symbol() << ") " << 
+				", mass: " << e->mass() << 
+				endl;
 	}
 
 	return 0;

From cniehaus at gmx.de  Sun Oct 16 17:47:45 2005
From: cniehaus at gmx.de (Carsten Niehaus)
Date: Sun, 16 Oct 2005 17:47:45 +0200
Subject: [Kalzium] Gentoobug of kalzium
Message-ID: <200510161747.46114.cniehaus@gmx.de>

Moin

https://bugs.gentoo.org/show_bug.cgi?id=109474

"Also, the kalzium/configure.in.in check for 
libfacile isn't controlled by a configure parameter."

I got this from a gentoo-dev: "Also, the check 
for ocaml+libfacile in kalzium/configure.in.in should accept an overriding 
--with-facile configure switch for us to use it in the ebuild."

Pino, can we do something about this? I know nothing about .in.in-files, 
sorry :(

Carsten

From paypal at paypal.com  Thu Oct 20 09:33:10 2005
From: paypal at paypal.com (PayPal)
Date: 20 Oct 2005 07:33:10 -0000
Subject: [Kalzium] New email address added to your PayPal account
Message-ID: <20051020073310.10162.qmail@earth.medspatechnologies.com>

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From cniehaus at gmx.de  Fri Oct 21 08:07:56 2005
From: cniehaus at gmx.de (Carsten Niehaus)
Date: Fri, 21 Oct 2005 08:07:56 +0200
Subject: [Kalzium] Fwd: Kalzium' s documentation
Message-ID: <200510210807.57513.cniehaus@gmx.de>



----------  Forwarded Message  ----------

Subject: Kalzium' s documentation
Date: Thursday 20 October 2005 18:30
From: Kush Singh <be_a_sport at rogers.com>
To: cniehaus at kde.org

Hi Carsten,

I like your educational tool Kalzium. But its difficult to understand a
few things in the documentation e.g.

++
the basic/acidic/neutral/amphoteric properties and classification of the
elements

Somehow what we have been taught in school and what is shown here does
not gel or maybe I have forgotten my chemistry.

Aluminium is supposed to be amphoteric but in kalzium is mentioned as
neutral, whereas neutral elements are the noble gases (he,ne, ar, kr,xe
and rn). Maybe Zinc is also amphoteric (am not sure)

basic elements are all the metals specially elements in column 1
acidic elements are all those in column 17
++++
the radioactivity classification

Radon is radioactive, so are Cs, Strontium etc but they are not shown as
such in the classification of "states of matter"

+++

it would be nice to know what is meant by
columns 1 to 18 under IUPAC
the groups 1 to 8
thru some form of short notes (or popup windows) or link to
www.wikipedia.org or something

++++
also if possible a short note on uses of these elements would be great
--specially if these can be grouped under different uses-- eg fuels
(hydrogen, etc) /oxidation (oxygen-ozone etc) /metallurgy (vanadium,
titanium, niobium, fe, etc) /plastics/information tech industry (Si, Ge,
Ga, Indium, Arsenic etc) /superconductivity etc

Please keep up the good work. I really liked the software.
Regards,
kussh

-------------------------------------------------------

From stevee at zuken.co.uk  Fri Oct 21 14:44:03 2005
From: stevee at zuken.co.uk (stevee@zuken.co.uk)
Date: 21 Oct 2005 12:44:03 -0000
Subject: [Kalzium] [Bug 114813] New: Compile error on Solaris 8 -
	spectrum.cpp uses round() which is not available
Message-ID: <20051021144402.114813.stevee@zuken.co.uk>  

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=114813         
           Summary: Compile error on Solaris 8 - spectrum.cpp uses round()
                    which is not available
           Product: kalzium
           Version: unspecified
          Platform: Compiled Sources
        OS/Version: Solaris
            Status: UNCONFIRMED
          Severity: normal
          Priority: NOR
         Component: general
        AssignedTo: kalzium kde org
        ReportedBy: stevee zuken co uk


Version:            (using KDE KDE 3.4.92)
Installed from:    Compiled From Sources
Compiler:          gcc 3.4.3 
OS:                Solaris

if g++ -DHAVE_CONFIG_H -I. -I. -I../.. -I./../../libkdeedu/kdeeduplot -I./../../libkdeedu/kdeeduui -I/opt/kde/include -I/opt/qt/include   -I/gorbag/exta/cad/externals/SOLARIS/gnome2/include/glib-2.0 -I/gorbag/exta/cad/externals/SOLARIS/include  -DQT_THREAD_SUPPORT -I/opt/kde/include -I/gorbag/exta/cad/externals/SOLARIS/gnome2/include/glib-2.0 -I/gorbag/exta/cad/externals/SOLARIS/include -I/opt/qt/include  -D_REENTRANT -D_POSIX_PTHREAD_SEMANTICS -DUSE_SOLARIS -DSVR4  -Wno-long-long -Wundef -Wall -W -Wpointer-arith -DNDEBUG -DNO_DEBUG -O2 -I/opt/kde/include -I/gorbag/exta/cad/externals/SOLARIS/gnome2/include/glib-2.0 -I/gorbag/exta/cad/externals/SOLARIS/include -I/opt/qt/include -O2 -fomit-frame-pointer -DNeedVarargsPrototypes=1 -DNeedFunctionPrototypes=1 -pipe -fno-exceptions -mcpu=ultrasparc -Wno-non-virtual-dtor -fno-exceptions -fno-check-new -fno-common -DQT_CLEAN_NAMESPACE -DQT_NO_ASCII_CAST -DQT_NO_STL -DQT_NO_COMPAT -DQT_NO_TRANSLATION -D_ISOC99_SOURCE -MT spectrum.o -MD -MP -MF ".deps/spectrum.Tpo" -c -o spectrum.o spectrum.cpp; \
then mv -f ".deps/spectrum.Tpo" ".deps/spectrum.Po"; else rm -f ".deps/spectrum.Tpo"; exit 1; fi
spectrum.cpp: In member function `void Spectrum::adjustIntensities()':
spectrum.cpp:100: error: `round' undeclared (first use this function)
spectrum.cpp:100: error: (Each undeclared identifier is reported only once for each function it appears in.)

kcalc had a similar problem in kde 3.3 beta which was subsequently fixed, see bug 99346.

From stevee at zuken.co.uk  Fri Oct 21 14:47:37 2005
From: stevee at zuken.co.uk (stevee@zuken.co.uk)
Date: 21 Oct 2005 12:47:37 -0000
Subject: [Kalzium] [Bug 114813] Compile error on Solaris 8 - spectrum.cpp
	uses round() which is not available
In-Reply-To: <20051021144402.114813.stevee@zuken.co.uk>  
Message-ID: <20051021124737.8642.qmail@ktown.kde.org>

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=114813         




------- Additional Comments From stevee zuken co uk  2005-10-21 14:47 -------
kalziumutils.cpp and spectrumwidget.cpp suffer from the same problem

From stevee at zuken.co.uk  Fri Oct 21 15:10:42 2005
From: stevee at zuken.co.uk (stevee@zuken.co.uk)
Date: 21 Oct 2005 13:10:42 -0000
Subject: [Kalzium] [Bug 114816] New: Compile error on Solaris 8 -
	spectrumwidget.cpp and kalziumutils.cpp both give a finite()
	undefined error
Message-ID: <20051021151041.114816.stevee@zuken.co.uk>  

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=114816         
           Summary: Compile error on Solaris 8 - spectrumwidget.cpp and
                    kalziumutils.cpp both give a finite() undefined error
           Product: kalzium
           Version: unspecified
          Platform: Compiled Sources
        OS/Version: Solaris
            Status: UNCONFIRMED
          Severity: normal
          Priority: NOR
         Component: general
        AssignedTo: kalzium kde org
        ReportedBy: stevee zuken co uk


Version:            (using KDE KDE 3.4.92)
Installed from:    Compiled From Sources
Compiler:          gcc 3.4.3 
OS:                Solaris

if g++ -DHAVE_CONFIG_H -I. -I. -I../.. -I./../../libkdeedu/kdeeduplot -I./../../libkdeedu/kdeeduui -I/opt/kde/include -I/opt/qt/include   -I/gorbag/exta/cad/externals/SOLARIS/gnome2/include/glib-2.0 -I/gorbag/exta/cad/externals/SOLARIS/include  -DQT_THREAD_SUPPORT -I/opt/kde/include -I/gorbag/exta/cad/externals/SOLARIS/gnome2/include/glib-2.0 -I/gorbag/exta/cad/externals/SOLARIS/include -I/opt/qt/include  -D_REENTRANT -D_POSIX_PTHREAD_SEMANTICS -DUSE_SOLARIS -DSVR4  -Wno-long-long -Wundef -Wall -W -Wpointer-arith -DNDEBUG -DNO_DEBUG -O2 -I/opt/kde/include -I/gorbag/exta/cad/externals/SOLARIS/gnome2/include/glib-2.0 -I/gorbag/exta/cad/externals/SOLARIS/include -I/opt/qt/include -O2 -fomit-frame-pointer -DNeedVarargsPrototypes=1 -DNeedFunctionPrototypes=1 -pipe -fno-exceptions -mcpu=ultrasparc -Wno-non-virtual-dtor -fno-exceptions -fno-check-new -fno-common -DQT_CLEAN_NAMESPACE -DQT_NO_ASCII_CAST -DQT_NO_STL -DQT_NO_COMPAT -DQT_NO_TRANSLATION -D_ISOC99_SOURCE -MT spectrumwidget.o -MD -MP -MF ".deps/spectrumwidget.Tpo" -c -o spectrumwidget.o spectrumwidget.cpp; \
then mv -f ".deps/spectrumwidget.Tpo" ".deps/spectrumwidget.Po"; else rm -f ".deps/spectrumwidget.Tpo"; exit 1; fi
spectrumwidget.cpp: In member function `double SpectrumWidget::strippedValue(double)':
spectrumwidget.cpp:257: error: `finite' undeclared (first use this function)
spectrumwidget.cpp:257: error: (Each undeclared identifier is reported only once for each function it appears in.)

To use finite() on Solaris it is necessary to include <ieeefp.h>

From stevee at zuken.co.uk  Fri Oct 21 15:36:11 2005
From: stevee at zuken.co.uk (stevee@zuken.co.uk)
Date: 21 Oct 2005 13:36:11 -0000
Subject: [Kalzium] [Bug 114817] New: Compile error on Solaris 8 - parser.cpp
	uses isblank, which is not available
Message-ID: <20051021153610.114817.stevee@zuken.co.uk>  

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=114817         
           Summary: Compile error on Solaris 8 - parser.cpp uses isblank,
                    which is not available
           Product: kalzium
           Version: unspecified
          Platform: Compiled Sources
        OS/Version: Solaris
            Status: UNCONFIRMED
          Severity: normal
          Priority: NOR
         Component: general
        AssignedTo: kalzium kde org
        ReportedBy: stevee zuken co uk


Version:            (using KDE KDE 3.4.92)
Installed from:    Compiled From Sources
Compiler:          gcc 3.4.3 
OS:                Solaris

if g++ -DHAVE_CONFIG_H -I. -I. -I../.. -I./../../libkdeedu/kdeeduplot -I./../../libkdeedu/kdeeduui -I/opt/kde/include -I/opt/qt/include   -I/gorbag/exta/cad/externals/SOLARIS/gnome2/include/glib-2.0 -I/gorbag/exta/cad/externals/SOLARIS/include  -DQT_THREAD_SUPPORT -I/opt/kde/include -I/gorbag/exta/cad/externals/SOLARIS/gnome2/include/glib-2.0 -I/gorbag/exta/cad/externals/SOLARIS/include -I/opt/qt/include  -D_REENTRANT -D_POSIX_PTHREAD_SEMANTICS -DUSE_SOLARIS -DSVR4  -Wno-long-long -Wundef -Wall -W -Wpointer-arith -DNDEBUG -DNO_DEBUG -O2 -I/opt/kde/include -I/gorbag/exta/cad/externals/SOLARIS/gnome2/include/glib-2.0 -I/gorbag/exta/cad/externals/SOLARIS/include -I/opt/qt/include -O2 -fomit-frame-pointer -DNeedVarargsPrototypes=1 -DNeedFunctionPrototypes=1 -pipe -fno-exceptions -mcpu=ultrasparc -Wno-non-virtual-dtor -fno-exceptions -fno-check-new -fno-common -DQT_CLEAN_NAMESPACE -DQT_NO_ASCII_CAST -DQT_NO_STL -DQT_NO_COMPAT -DQT_NO_TRANSLATION -D_ISOC99_SOURCE -MT parser.o -MD -MP -MF ".deps/parser.Tpo" -c -o parser.o parser.cpp; \
then mv -f ".deps/parser.Tpo" ".deps/parser.Po"; else rm -f ".deps/parser.Tpo"; exit 1; fi
parser.cpp: In member function `int Parser::skipWhitespace()':
parser.cpp:168: error: `isblank' undeclared (first use this function)
parser.cpp:168: error: (Each undeclared identifier is reported only once for each function it appears in.)

I cannot find a definition of isblank in any of the system header files.

From thiago at kde.org  Sat Oct 22 01:31:54 2005
From: thiago at kde.org (Thiago Macieira)
Date: 21 Oct 2005 23:31:54 -0000
Subject: [Kalzium] [Bug 114817] Compile error on Solaris 8 - parser.cpp uses
	isblank, which is not available
In-Reply-To: <20051021153610.114817.stevee@zuken.co.uk>  
Message-ID: <20051021233154.9219.qmail@ktown.kde.org>

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=114817         
thiago kde org changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
             Status|UNCONFIRMED                 |RESOLVED
         Resolution|                            |FIXED



------- Additional Comments From thiago kde org  2005-10-22 01:31 -------
SVN commit 472788 by thiago:

Fix code compilation on Solaris 8. isblank is not available outside the GNU
C library:
       isblank()
              checks  for  a blank character; that is, a space or a tab.  This
              function is a GNU extension.

Instead, let's rely on QChar, which is always fully Unicode.

To the Kalzium developers: m_str is a QString, so why is m_nextChar an int,
instead of a QChar?

BUG:114817        


 M  +1 -1      parser.cpp  


--- branches/KDE/3.5/kdeedu/kalzium/src/parser.cpp #472787:472788
 @ -165,7 +165,7  @
 int
 Parser::skipWhitespace()
 {
-    while (isblank(m_nextChar))
+    while (QChar(m_nextChar).isSpace())
 	getNextChar();
 
     return m_nextChar;

From fbresciani at users.sourceforge.net  Sat Oct 22 18:50:38 2005
From: fbresciani at users.sourceforge.net (Francesco Bresciani)
Date: 22 Oct 2005 16:50:38 -0000
Subject: [Kalzium] [Bug 114882] New: Some strings in the glossary are not
	translated
Message-ID: <20051022185036.114882.fbresciani@users.sourceforge.net>  

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=114882         
           Summary: Some strings in the glossary are not translated
           Product: kalzium
           Version: unspecified
          Platform: unspecified
        OS/Version: Linux
            Status: UNCONFIRMED
          Severity: normal
          Priority: NOR
         Component: general
        AssignedTo: kalzium kde org
        ReportedBy: fbresciani users sourceforge net


Version:           1.4.2 (using KDE 3.4.92 (beta2, >= 20051010), compiled sources)
Compiler:          Target: i486-linux-gnu
OS:                Linux (i686) release 2.6.10-5-386

I'm the italian translator of kalzium. While testing my translation I've found that some strings doesn't appear translated in the glossary. After some testing I've found that apparentely if there is an image before the string, it's not translated. For example the description of the extractor hood in the glossary does not appear translated because there is an image before it, while the description of the buret appears correctly translated (and there isn't an image indeed)...

I've tested with the spanish and german po files and there is the same problem, so it's not related with the italian po files.

From toscano.pino at tiscali.it  Sun Oct 23 01:29:36 2005
From: toscano.pino at tiscali.it (Pino Toscano)
Date: 22 Oct 2005 23:29:36 -0000
Subject: [Kalzium] [Bug 114882] Some strings in the glossary are not
	translated
In-Reply-To: <20051022185036.114882.fbresciani@users.sourceforge.net>  
Message-ID: <20051022232936.24644.qmail@ktown.kde.org>

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=114882         




------- Additional Comments From toscano.pino tiscali it  2005-10-23 01:29 -------
SVN commit 473231 by pino:

Translate the description at the right point.

CCBUG: 114882


 M  +1 -3      kdeeduglossary.cpp  


--- branches/KDE/3.5/kdeedu/libkdeedu/kdeeduui/kdeeduglossary.cpp #473230:473231
 @ -130,7 +130,7  @
 		QString picName = itemElement.namedItem( "picture" ).toElement().text();
 		QDomElement refNode = ( const QDomElement& ) itemElement.namedItem( "references" ).toElement();
 
-		QString desc = descNode.toElement().text();
+		QString desc = i18n( descNode.toElement().text().utf8() );
 		if ( !picName.isEmpty() )
 			desc.prepend("[img]"+picName +"[/img]" );
 
 @ -146,8 +146,6  @
 		item->setDesc( item->desc().replace("[/sup]", "</sup>" ) );
 		item->setDesc( item->desc().replace("[br]", "<br />" ) );
 		
-		item->setDesc( i18n( item->desc().utf8() ) );
-
 		refNodeList = refNode.elementsByTagName( "refitem" );
 		for ( uint it = 0; it < refNodeList.count(); it++ )
 		{

From toscano.pino at tiscali.it  Sun Oct 23 01:34:19 2005
From: toscano.pino at tiscali.it (Pino Toscano)
Date: 22 Oct 2005 23:34:19 -0000
Subject: [Kalzium] [Bug 114882] Some strings in the glossary are not
	translated
In-Reply-To: <20051022185036.114882.fbresciani@users.sourceforge.net>  
Message-ID: <20051022233419.26634.qmail@ktown.kde.org>

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=114882         
toscano.pino tiscali it changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
             Status|UNCONFIRMED                 |RESOLVED
         Resolution|                            |FIXED



------- Additional Comments From toscano.pino tiscali it  2005-10-23 01:34 -------
SVN commit 473233 by pino:

Forwardport: translate the description at the right point.

BUG: 114882


 M  +1 -1      kdeeduglossary.cpp  


--- trunk/KDE/kdeedu/libkdeedu/kdeeduui/kdeeduglossary.cpp #473232:473233
 @ -162,7 +162,7  @
 		QString picName = itemElement.namedItem( "picture" ).toElement().text();
 		QDomElement refNode = ( const QDomElement& ) itemElement.namedItem( "references" ).toElement();
 
-		QString desc = descNode.toElement().text().toUtf8();
+		QString desc = i18n( descNode.toElement().text().toUtf8() );
 		if ( !picName.isEmpty() )
 			desc.prepend("[img]"+picName +"[/img][brclear][br]" );

From cniehaus at gmx.de  Sun Oct 23 13:29:26 2005
From: cniehaus at gmx.de (Carsten Niehaus)
Date: Sun, 23 Oct 2005 13:29:26 +0200
Subject: [Kalzium] Update on libscience
Message-ID: <200510231329.30695.cniehaus@gmx.de>

Moin moin

In the last couple of days I fixed some bugs in libscience and was able to 
merge more and more data into BlueObelisk. I will paste the example of 
Bromine so that you can see what is currently supported and what is not:

bo:atomicNumber 35
bo:symbol Br
bo:name Bromine
bo:mass 79.904
bo:exactMass 78.9183371
bo:ionization 11.8138
bo:electronAffinity 3.363588
bo:electronegativityPauling 2.96
bo:nameOrigin Greek 'bromos' for 'smells badly'
bo:radiusCovalent 1.14
bo:radiusVDW 1.9
bo:periodTableBlock p
bo:period 4

I am currently working the exact XML-format for the orbits out with the folks 
of BlueObelisk.

Carsten
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From cniehaus at gmx.de  Sun Oct 23 13:32:52 2005
From: cniehaus at gmx.de (Carsten Niehaus)
Date: Sun, 23 Oct 2005 13:32:52 +0200
Subject: [Kalzium] Update on libscience
In-Reply-To: <200510231329.30695.cniehaus@gmx.de>
References: <200510231329.30695.cniehaus@gmx.de>
Message-ID: <200510231332.53675.cniehaus@gmx.de>

Oops, somehow I managed to break the perlscript somewhere. Meltingpoint and 
boilingpoint are missing in this list.

> bo:atomicNumber 35
> bo:symbol Br
> bo:name Bromine
> bo:mass 79.904
> bo:exactMass 78.9183371
> bo:ionization 11.8138
> bo:electronAffinity 3.363588
> bo:electronegativityPauling 2.96
> bo:nameOrigin Greek 'bromos' for 'smells badly'
> bo:radiusCovalent 1.14
> bo:radiusVDW 1.9
> bo:periodTableBlock p
> bo:period 4

Carsten
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From tsdgeos at terra.es  Sun Oct 23 17:34:16 2005
From: tsdgeos at terra.es (Albert Astals Cid)
Date: 23 Oct 2005 15:34:16 -0000
Subject: [Kalzium] [Bug 114813] Compile error on Solaris 8 - spectrum.cpp
	uses round() which is not available
In-Reply-To: <20051021144402.114813.stevee@zuken.co.uk>  
Message-ID: <20051023153416.25559.qmail@ktown.kde.org>

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=114813         
tsdgeos terra es changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
             Status|UNCONFIRMED                 |RESOLVED
         Resolution|                            |FIXED



------- Additional Comments From tsdgeos terra es  2005-10-23 17:34 -------
SVN commit 473393 by aacid:

round() -> qRound()
BUGS: 114813


 M  +1 -1      kalziumutils.cpp  
 M  +1 -1      spectrum.cpp  
 M  +3 -18     spectrumwidget.cpp  
 M  +0 -2      spectrumwidget.h  


--- branches/KDE/3.5/kdeedu/kalzium/src/kalziumutils.cpp #473392:473393
 @ -63,7 +63,7  @
 		power *= 10;
 
 	num = num / power * 10000;
-	num = round( num );
+	num = qRound( num );
 
 	return num * power / 10000;
 }
--- branches/KDE/3.5/kdeedu/kalzium/src/spectrum.cpp #473392:473393
 @ -97,7 +97,7  @
 		double curInt = ( ( double )( *it ).intensity );
 		
 		double newInt = max*1000/curInt;
-		( *it ).intensity = ( int ) round( newInt );
+		( *it ).intensity = qRound( newInt );
 	}
 }
 
--- branches/KDE/3.5/kdeedu/kalzium/src/spectrumwidget.cpp #473392:473393
 @ -21,6 +21,7  @
 #include "spectrumwidget.h"
 #include "spectrum.h"
 #include "element.h"
+#include "kalziumutils.h"
 
 #include <kdebug.h>
 #include <klocale.h>
 @ -216,7 +217,7  @
 	if ( color == 0.0 )
 		return 0;
 	else
-		return ( int )( round( IntensityMax * pow( color*factor, Gamma ) ) );
+		return qRound( IntensityMax * pow( color*factor, Gamma ) );
 }
 
 void SpectrumWidget::drawTickmarks( QPainter* p )
 @ -243,7 +244,7  @
 			{
 				pos = ( double ) ( i*d )/width();
 				p->fillRect( i*d-space, m_realHeight+12, 2*space, 15, Qt::white );
-				p->drawText( i*d-space, m_realHeight+12, 2*space, 15, Qt::AlignCenter, QString::number( strippedValue( Wavelength( pos ) ) ) );
+				p->drawText( i*d-space, m_realHeight+12, 2*space, 15, Qt::AlignCenter, QString::number( KalziumUtils::strippedValue( Wavelength( pos ) ) ) );
 			}
 		}
 		else {//small tickmarks
 @ -252,22 +253,6  @
 	}
 }
 
-double SpectrumWidget::strippedValue( double num )
-{
-	if ( !finite( num ) )
-		return num;
-
-	double power;
-	power = 1e-6;
-	while ( power < num )
-		power *= 10;
-
-	num = num / power * 10000;
-	num = round( num );
-
-	return num * power / 10000;
-}
-
 void SpectrumWidget::keyPressEvent( QKeyEvent *e )
 {
 	 kdDebug() << "SpectrumWidget::keyPressEvent()" << endl;
--- branches/KDE/3.5/kdeedu/kalzium/src/spectrumwidget.h #473392:473393
 @ -141,8 +141,6  @
 			return startValue + (  (  endValue-startValue ) *  xpos );
 		}
 
-		double strippedValue( double num );
-
 		/**
 		 * This method changes the three values  p r,  p g and  p b to the
 		 * correct values

From tsdgeos at terra.es  Sun Oct 23 17:52:12 2005
From: tsdgeos at terra.es (Albert Astals Cid)
Date: 23 Oct 2005 15:52:12 -0000
Subject: [Kalzium] [Bug 114816] Compile error on Solaris 8 -
	spectrumwidget.cpp and kalziumutils.cpp both give a finite()
	undefined error
In-Reply-To: <20051021151041.114816.stevee@zuken.co.uk>  
Message-ID: <20051023155212.32698.qmail@ktown.kde.org>

------- You are receiving this mail because: -------
You are the assignee for the bug, or are watching the assignee.
         
http://bugs.kde.org/show_bug.cgi?id=114816         
tsdgeos terra es changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
             Status|UNCONFIRMED                 |RESOLVED
         Resolution|                            |FIXED



------- Additional Comments From tsdgeos terra es  2005-10-23 17:52 -------
SVN commit 473400 by aacid:

include ieeefp.h if we are on solaris
BUGS: 114816


 M  +5 -0      spectrumwidget.cpp  


--- branches/KDE/3.5/kdeedu/kalzium/src/spectrumwidget.cpp #473399:473400
 @ -33,6 +33,11  @
 #include <qpixmap.h>
 #include <qtooltip.h>
 
+#include <qglobal.h>
+#if defined(Q_OS_SOLARIS)
+#include <ieeefp.h>
+#endif
+
 SpectrumWidget::SpectrumWidget( QWidget *parent, const char* name ) : QWidget( parent, name )
 {
 	startValue = 0;

From arne at inwfsun1.Ugent.be  Thu Oct 27 00:47:10 2005
From: arne at inwfsun1.Ugent.be (Arne Vandenbroucke)
Date: Thu, 27 Oct 2005 00:47:10 +0200 (CEST)
Subject: [Kalzium] upgrade possible ?
Message-ID: <Pine.LNX.4.58.0510270037240.19524@inwfsun1.Ugent.be>

Hi Kalzium Developpers,

 I just installed Kalzium, and I'm really amazed about this program. It's 
looking great ! What would be even better is to include the 
Radioactive properties of the isotopes of 
the elements, its decay modes and half-life.  


 Thanks !

   Arne 




From toscano.pino at tiscali.it  Sat Oct 29 19:33:28 2005
From: toscano.pino at tiscali.it (Pino Toscano)
Date: 29 Oct 2005 17:33:28 -0000
Subject: [Kalzium] [Bug 112493] State of matter: Wrong colorscheme used
In-Reply-To: <20050912194309.112493.cniehaus@kde.org>  
Message-ID: <20051029173328.28106.qmail@ktown.kde.org>

------- You are receiving this mail because: -------
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http://bugs.kde.org/show_bug.cgi?id=112493         




------- Additional Comments From toscano.pino tiscali it  2005-10-29 19:33 -------
Are you referring to the timeline or to the state of matter?
Because the state of matter uses own colors, and not the current color 
scheme/gradient.

From toscano.pino at tiscali.it  Sun Oct 30 11:18:17 2005
From: toscano.pino at tiscali.it (Pino Toscano)
Date: 30 Oct 2005 10:18:17 -0000
Subject: [Kalzium] [Bug 109081] Temparature setting change is not applied
	when you are in State of Matter
In-Reply-To: <20050714154355.109081.annma@kde.org>  
Message-ID: <20051030101817.20517.qmail@ktown.kde.org>

------- You are receiving this mail because: -------
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http://bugs.kde.org/show_bug.cgi?id=109081         
toscano.pino tiscali it changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
             Status|NEW                         |RESOLVED
         Resolution|                            |FIXED



------- Additional Comments From toscano.pino tiscali it  2005-10-30 11:18 -------
This bug can be closed, as we fixed both the points reported by the reporter:

> 1) the current temperature should be shown in the statusbar when in the
> State of Matter. Only units is not quite enough.

The temperature settings have "sense" only in the detail dialog or in the State of Matter mode: in this mode, there are both the current temperature value and the symbol of the current unit temperature next to the value.

> 2) when you are in F for example, in State of Matter and you open Settings
> -> Configure Kalzium -> Units and you change the temperature here, when you
> Apply, the temperature is not changed in the State of Matter. 
 
This is fixed too, changing the temperature in the settings will produce the immediate update in the State of Matter tab of the sidebar.

From cniehaus at gmx.de  Mon Oct 31 11:31:48 2005
From: cniehaus at gmx.de (cniehaus@gmx.de)
Date: 31 Oct 2005 10:31:48 -0000
Subject: [Kalzium] [Bug 112493] State of matter: Wrong colorscheme used
In-Reply-To: <20050912194309.112493.cniehaus@kde.org>  
Message-ID: <20051031103148.29564.qmail@ktown.kde.org>

------- You are receiving this mail because: -------
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http://bugs.kde.org/show_bug.cgi?id=112493         
cniehaus gmx de changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
             Status|NEW                         |RESOLVED
         Resolution|                            |FIXED



------- Additional Comments From cniehaus gmx de  2005-10-31 11:31 -------
Thank you for your bug report.
The bug that you reported has been identified and has been fixed in the
latest development version of KDE and in KDE 3.5. The bug report will be 
closed.