[Bug 189630] New: Wish : Navigate in space and change the point of view after drawing a molecule

https://bugs.kde.org/show_bug.cgi?id=189630

           Summary: Wish : Navigate in space and change the point of view
                    after drawing a molecule
           Product: kalzium
           Version: unspecified
          Platform: unspecified
        OS/Version: Linux
            Status: UNCONFIRMED
          Severity: wishlist
          Priority: NOR
         Component: general
        AssignedTo: kalzium@...
        ReportedBy: linuxcomics@...


Version:           2.2.1 (using KDE 4.2.2)
OS:                Linux
Installed from:    Unlisted Binary Package

In current version of Kalzium molecular editor, when you draw a molecule, it
seems that it is not possible to navigate in space and change the point of
view.
This feature would be useful to teachers to illustrate particular conformations
of molecules (for example : staggered and eclipsed conformations of ethane).

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Carsten Niehaus <cniehaus@...> changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
             Status|UNCONFIRMED                 |NEEDSINFO
         Resolution|                            |WORKSFORME




--- Comment #1 from Carsten Niehaus <cniehaus kde org>  2009-04-15 13:10:37 ---
This works. Please have a look at this over 1 year old video:

http://www.youtube.com/watch?v=ZpqcpOW6m18

Or did I misunderstand you?

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--- Comment #2 from Linuxcomics <linuxcomics neuf fr>  2009-04-15 13:43:53 ---
No, you're right. I was talking about this kind of feature.

But there's something I still don't understand. When I draw a molecule with
Kalzium molecular editor (version 2.2.1 on Pardus 2008.2 / KDE 4.2.2), I can
add new atoms and new bonds with a left click on my mouse, delete atoms and
bonds with a right click and zoom on the molecule with the central button. But
I'm not able to do rotations as you do in the video. Or, in better words, I
don't see how you do this.

Could you, please, explain me ?

Best regards,

Linuxcomics

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--- Comment #3 from Carsten Niehaus <cniehaus kde org>  2009-04-15 13:55:48 ---
Well, I click on the black area, press the left mouse button and move the
mouse.

As you might know the 3D editor is based on Avogadro. Could you try Avogadro as
well?

   http://avogadro.openmolecules.net/wiki/Main_Page

We are trying to fix final issues for version 1.0 which is the one Kalzium of
KDE 4.4 will be based on. Your tests would be very welcome!

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--- Comment #4 from Linuxcomics <linuxcomics neuf fr>  2009-04-15 16:45:40 ---
1 - When I click on the black area with the left button, a new atom appear on
the screen. A move of the mouse create a bond between a second atom and the
first one. But the molecule doesn't move at all. It's very strange ....

2 - Indeed, I have notice that the 3D editor is based on Avogadro. But I
encountered problems with its installation on Pardus 2008.2.
Pisi package of OpenBabel is currently for version 2.2.0 (even in Pardus 2008
test repository). So I update to version 2.2.1 in order to install Avogadro
0.9.3. It works fine but, unfortunately, it's not the same thing for Avogadro
installation. I already do a bug report on Avogadro bug tracking system and I
also plan to do some tests on Mandriva in order to see if I have the same kind
of problem.

3 - It would be a great pleasure for me to help improve Kalzium. I am not a
programmer but I can look at Kalzium from a teacher point of view.

Best regards,

Linuxcomics.

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Marcus D. Hanwell <marcus@...> changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
                 CC|                            |marcus@...




--- Comment #5 from Marcus D. Hanwell <marcus cryos org>  2009-04-15 19:38:48 ---
This functionality was the first to be implemented. In KDE 4.0 Kalzium had a
molecular viewer that could navigate around the molecule. The editing
functionality came later in KDE 4.1. You need to have the display tab selected
to be able to navigate around the molecule, when the edit tab is selected you
are in edit mode. Perhaps this is a documentation issue that we should try to
address before the 4.3 freeze?

It certainly works. Tested on Gentoo using OpenBabel 2.2.1, KDE 4.2.2. Also at
home using KDE trunk and OpenBabel 2.2.1 (still Gentoo) it works and has all
the enhancements from the latest 0.9 series in the Avogadro library.

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--- Comment #6 from Linuxcomics <linuxcomics neuf fr>  2009-04-16 16:56:34 ---
Well, I have find the answer so I can say it is not a documentation issue.

But, first of all, I have to thank you, Marcus, because you give me an idea
that help me to find the answer.

I'm a French KDE user and so, I use Kalzium in French. When doing this, I
encountered the problem reported earlier : I'm not able to navigate in space
and to do rotations.

To be sure of what Marcus means by "display tab", I change settings in order to
launch Kalzium in English. When doing this, the molecular editor works fine.
Indeed, when I select the display tab, I obtain two yellow arrows that allow me
to change my point of view of the molecule.

So the next question is : is this problem related to KDE or do you think that
this bug is specific to Pardus ?

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--- Comment #7 from Marcus D. Hanwell <marcus cryos org>  2009-04-16 17:10:10 ---
This could be a localization bug. I was just looking at the code to change
modes. Now these strings are not user visible, but the tool names were getting
localized. I will dig into this, but I think we fixed this recently. So now we
have a unique name which is not localized, and a user visible name and
description which is localized.

void MoleculeDialog::setViewEdit(int mode)
{
    if (mode == 0) ui.glWidget->toolGroup()->setActiveTool("Navigate");
    else if (mode == 1) {
      ui.glWidget->toolGroup()->setActiveTool("Draw");
      ui.glWidget->toolGroup()->activeTool()->readSettings(*m_drawSettings);
    }
    else if (mode == 2) ui.glWidget->toolGroup()->setActiveTool("Measure");
}

This is in the tools/moleculeview.cpp file in Kalzium's source. I would need to
install some alternate languages here to confirm this, but I suspect this is
the source of the problem.

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--- Comment #8 from Linuxcomics <linuxcomics neuf fr>  2009-04-16 18:06:57 ---
I did the same test on Mandriva 2009.1 RC2 and I obtained the same results. It
doesn't work when Kalzium is used in French while everything works fine when I
choose English.

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--- Comment #9 from Marcus D. Hanwell <marcus cryos org>  2009-04-16 18:43:08 ---
Yes, I think this is a localization issue. I need to do some testing, but I
think this is fixed in KDE 4.3/trunk due to it being fixed at a more
fundamental level in the Avogadro library. I am not sure what the best way to
fix it in KDE 4.2 is, can I wrap the strings, i.e. i18n("Navigate"), or would
that require translation and introduce new strings? I am not sure how clever
i18n is about recognizing identical strings.

You could try replacing the lines I reference above with,

void MoleculeDialog::setViewEdit(int mode)
{
    if (mode == 0) ui.glWidget->toolGroup()->setActiveTool(i18n("Navigate"));
    else if (mode == 1) {
      ui.glWidget->toolGroup()->setActiveTool(i18n("Draw"));
      ui.glWidget->toolGroup()->activeTool()->readSettings(*m_drawSettings);
    }
    else if (mode == 2)
      ui.glWidget->toolGroup()->setActiveTool(i18n("Measure"));
}

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--- Comment #10 from Linuxcomics <linuxcomics neuf fr>  2009-04-22 17:00:11 ---
Does Kalzium (version 4.2) work with these modifications ?

Best regards,

Linuxcomics.

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