Sphere Engine

Hi,

Just been getting back into the swing of things and have implemented the
sphere engine. It was not very difficult and I hardly feel like I deserve the
addition in the copyright as it was just so easy to add. I would appreciate
any comments on it.

I have increased the sphere detail level as they tend to be bigger and no
sticks are needed. This is on of my personal favourite views when I am trying
to get a feel for how a molecule looks and it seems to work well here. The
number used may want tuning - not sure what your opinion is Benoit.

I also encountered a bug whilst working on this - on my amd64 system lib is a
symlink to lib64. All engines and tools are parsed twice and appear twice.
Not certain what to do about it but feel it is important to ensure engines
are only included once.

I have attached the patch against svn trunk. It is based on bsengine and I
used that as my starting point.

Thanks,

Marcus

Hi,

Just been getting back into the swing of things and have implemented the
sphere engine. It was not very difficult and I hardly feel like I deserve the
addition in the copyright as it was just so easy to add. I would appreciate
any comments on it.

I have increased the sphere detail level as they tend to be bigger and no
sticks are needed. This is on of my personal favourite views when I am trying
to get a feel for how a molecule looks and it seems to work well here. The
number used may want tuning - not sure what your opinion is Benoit.

I also encountered a bug whilst working on this - on my amd64 system lib is a
symlink to lib64. All engines and tools are parsed twice and appear twice.
Not certain what to do about it but feel it is important to ensure engines
are only included once.

I have attached the patch against svn trunk. It is based on bsengine and I
used that as my starting point.

Thanks,

Marcus

On Tuesday 01 May 2007 16:22:51 Marcus D. Hanwell wrote:

Just been getting back into the swing of things and have implemented the
sphere engine. It was not very difficult and I hardly feel like I deserve
the addition in the copyright as it was just so easy to add. I would
appreciate any comments on it.

Great! I’ve applied it and committed. The code looks fine and the new engine
works as expected. I have also checked that the Tools work fine with it. You
were right to add your copyright line.

If you have a SVN account, don’t hesitate to use it; otherwise… someone give
this man a SVN account!

I have increased the sphere detail level as they tend to be bigger and no
sticks are needed.

Good idea! Kalzium3D used to do that as well.

This is on of my personal favourite views when I am
trying to get a feel for how a molecule looks and it seems to work well
here. The number used may want tuning - not sure what your opinion is
Benoit.

I think that your choice is good for a static-level-of-detail engine (like
bsengine). Then, it would also be interesting to have a dynamic version (like
bsdyengine). IMHO, the right approach is to make sure the visual quality
remains the same across engines, which means some engines will be slower than
others. IMHO, the bad approach would be to try to achieve equal
framerate across engines, which would result in worse visual quality in some
engines.

Cheers,
Benoit

On May 1, 2007, at 1:33 PM, Donald Ephraim Curtis wrote:

I’m pretty sure this man has an account.

Nope. Marcus, what’s your SourceForge.net account? I’ll add you to
the SVN list.

Cheers,
-Geoff

Moin

Just updated and now I am getting

     avogadro: Fatal IO error: client killed

GDB doesn’t show anything (no stack). I happens when I click on the canvas
(the molecule). I do se the molecule.

Do not happen in wireframe mode and when no engine is selected. When using
only the Label-engine it doesn’t happen either by my shells spits out a
million

X Error: GLXBadContextState 155
Extension: 143 (Uknown extension)
Minor opcode: 5 (Unknown request)
Resource id: 0x100000c
QGLContext::makeCurrent(): Failed.

It does not matter which tool I am using.

Carsten

I’m pretty sure this man has an account.

(Tue, May 01, 2007 at 05:41:14PM +0200) Benoît Jacob jacob@math.jussieu.fr:

On Tuesday 01 May 2007 16:22:51 Marcus D. Hanwell wrote:

Just been getting back into the swing of things and have implemented the
sphere engine. It was not very difficult and I hardly feel like I deserve
the addition in the copyright as it was just so easy to add. I would
appreciate any comments on it.

Great! I’ve applied it and committed. The code looks fine and the new engine
works as expected. I have also checked that the Tools work fine with it. You
were right to add your copyright line.

If you have a SVN account, don’t hesitate to use it; otherwise… someone give
this man a SVN account!

I have increased the sphere detail level as they tend to be bigger and no
sticks are needed.

Good idea! Kalzium3D used to do that as well.

This is on of my personal favourite views when I am
trying to get a feel for how a molecule looks and it seems to work well
here. The number used may want tuning - not sure what your opinion is
Benoit.

I think that your choice is good for a static-level-of-detail engine (like
bsengine). Then, it would also be interesting to have a dynamic version (like
bsdyengine). IMHO, the right approach is to make sure the visual quality
remains the same across engines, which means some engines will be slower than
others. IMHO, the bad approach would be to try to achieve equal
framerate across engines, which would result in worse visual quality in some
engines.

Cheers,
Benoit


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I also encountered a bug whilst working on this - on my amd64 system lib is a
symlink to lib64. All engines and tools are parsed twice and appear twice.
Not certain what to do about it but feel it is important to ensure engines
are only included once.

They’re not really getting parsed twice, the problem is that you have
defined AVOGADRO_ENGINES and it searches all those paths INCLUDING
/usr/local/lib and /usr/lib. Most likely you have done a previous
install and have also defined AVOGADOR_ENGINES to search for engines in
your build directory $BUILD_DIR/libavogadro/src/engines

Unfortunatly that’s another issue that needs to be resolved. I need to
take this upcoming weekend to clean all the code up , make final changes
and try to have a beta release out. I have been busy with a paper
presentation and research lately.

Whoops, my bad, that was Tim that i added.

(Tue, May 01, 2007 at 12:44:18PM -0400) Geoffrey Hutchison geoff.hutchison@gmail.com:

On May 1, 2007, at 1:33 PM, Donald Ephraim Curtis wrote:

I’m pretty sure this man has an account.

Nope. Marcus, what’s your SourceForge.net account? I’ll add you to
the SVN list.

Cheers,
-Geoff


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On Tuesday 01 May 2007 17:44:18 Geoffrey Hutchison wrote:

On May 1, 2007, at 1:33 PM, Donald Ephraim Curtis wrote:

I’m pretty sure this man has an account.

Nope. Marcus, what’s your SourceForge.net account? I’ll add you to
the SVN list.

HI Geoff,

My SourceForge.net account id cryosuk. To be honest the first few things I did
I thought it would be better to get feedback before committing anyway and so
it has not been a problem not having an account :slight_smile:

Thanks,

Marcus

That’s something to do with when X gets screwed up. I had that problem
and had to restart XWindows. Not sure why you’re getting it though.

(Tue, May 01, 2007 at 07:04:58PM +0200) Carsten Niehaus cniehaus@gmx.de:

Moin

Just updated and now I am getting

     avogadro: Fatal IO error: client killed

GDB doesn’t show anything (no stack). I happens when I click on the canvas
(the molecule). I do se the molecule.

Do not happen in wireframe mode and when no engine is selected. When using
only the Label-engine it doesn’t happen either by my shells spits out a
million

X Error: GLXBadContextState 155
Extension: 143 (Uknown extension)
Minor opcode: 5 (Unknown request)
Resource id: 0x100000c
QGLContext::makeCurrent(): Failed.

It does not matter which tool I am using.

Carsten


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Download DB2 Express C - the FREE version of DB2 express and take
control of your XML. No limits. Just data. Click to get it now.
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Avogadro-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-devel