[Cdk-devel] [ cdk-Patches-2836143 ] Jchempaint primary - ring patch

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Patches item #2836143, was opened at 2009-08-12 12:06
Message generated for change (Comment added) made by mark_rynbeek
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Category: None
Group: Needs Review
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Mark Rijnbeek (mark_rynbeek)
Assigned to: Egon Willighagen (egonw)
Summary: Jchempaint primary - ring patch

Initial Comment:
Small Jchempaint patch made against branch "10-unsorted".

Patch contents:
- RingPlace: ring placement uses different start angles for different ring types. This makes the rings appear as they look in the tooltips, not tilted. 
- ControllerHub: ringsize changed from 1.4 to 0.8. This makes things appear correct in the applet. Please test in Bioclipse. 

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>Comment By: Mark Rijnbeek (mark_rynbeek)
Date: 2009-08-13 14:12

Message:

Regarding the size 1.4 or 0.8 : on further inspection it does seem that
0.8 is a good value for molfiles as they are produced by Marvin, but not
for SMILES based compounds (current value 1.4 is probably a correct for
those) 
So instead of a hard coded value, it should be calculated, derived from
the rendered molecule. Like Egon suggested on the list, probably somehow
using  getAverageBondLength(). But would that not mean that the Controller
logic becomes mixed up with the Renderer?


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You can respond by visiting: 
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