Re: [XMakemol-discuss] Manual adjustment of bounding box

[Wolfram Quester]

Hi Matt!

On Mon, May 17, 2004 at 05:26:25PM +0100, Matt Hodges wrote:
> >>>>> Wolfram Quester writes
> 
>  > > OK. This sounds reasonable. All this should eventually be fully
>  > > documented, of course.
> 
>  > I implemented this fallback in my attached patch. I want to add a
>  > help button in the edit-bbox-dialog later. If you want I can edit
>  > the documentation to explain the whole bbox stuff.
> 
> Yes, please send a patch for the documentation.
I'll do. Is it correct that I have to change xmakemol.tex only and then
xmakemol.{html,txt} are created by some script?
> 
>  > > Something like "from input" or "from file" is OK, until I think
>  > > of anything better. But should it be possible to use the widgets
>  > > to adjust the automatically-calculated bounding box?
> 
>  > The attached patch uses "from file". I think I'll never use the
>  > widgets in the dialog. They are there because in the beginning I
>  > wanted to be able to edit the absolute_bbox there. This is still
>  > the only use I would have for them. If we agree that we don't need
>  > them I'd throw them away.
> 
> I rather like the idea of being able to edit the "automatic" bounding
> box with these. Do they work with both the "from file" and "automatic"
> bounding box at the moment?
No, at the moment they they don't work with "automatic". But this is
changed by the attached patch.
> 
>  > > I changed this. Additionally the bbox is now visible from the
>  > > beginning in this case.
> 
> The display bounding box button is toggled on, if necessary? This
> sounds OK.
If there is bbox-data in the xyz-file this data is used by default to
draw the bbox and the bbox is shown from the beginning. In the view menu
the bounding box button is toggled on.
> 
>  > > I found it: you have to switch to "Rotate about origin" to get the
>  > > whished result. Why this is the case I don't know yet. I stumbled
>  > > over it a few time while programming this stuff and I was not very
>  > > confident with it. I don't know a real solution yet.
> 
> I don't see why this should be necessary. That it is sounds like a
> bug.
Hm, I have a small file here where this behaviour is shown. I work on a
way how to reproduce this. I'll let you know what I found.
> 
>  > With this version of the patch the bug is resolved. If no bbox_xyz
>  > data is specified in the input file, the behaviour of the bbox
>  > "from file" is not very usefull, at least if the user doesn't
>  > change the values in the input fields.
> 
> What happens if they do?
If they set "from file" they can change the bounding box. The problem at
the moment is, that if no bbox data is given in the file, the bbox of
the first frame is calculated automatically. In the later frames this
same bbox is used. If "automatic" is set, the entries in the widgets
have no effect at the moment.
If you apply the attached patch after applying the first one, data in
the widgets will influence the bbox on both, "from file" and "automatic". 
> 
>  > Btw, the shown bbox is not the one given in the input file if one
>  > changes the visiblility of atoms. I hope to find a solution to that
>  > sooner or later.
> 
> OK.
> 
> Thanks,
> 
> Matt

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