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vincefn / objcryst

Free Objects for Crystallography : Fox / ObjCryst++
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Bug Hunting: Free Objects for Crystallography "FOX-2017-06-28.exe stopped working" error during Debug Test ! #32

Closed emirfirlar closed 6 years ago

emirfirlar commented 6 years ago

https://i.hizliresim.com/Z9kLb0.jpg  

Expected behavior

 

Doing “Debug Test”

 

Actual behavior

 

FOX-2017-06-28.exe stopped working

 

How to reproduce

 

I opened K-tartrate.xml file. I did “convert atoms to a molecule” in scatterers section. I chose K atom in “choose the molecule’s atoms” window. I clicked Formula & Restraints button in Molecule section. Then, i chose Debug Test. The program stopped working. I checked the error again. This time i created new crystal in objects menu. I chose “add atomic scattering power” in scatterers section. Afterwards, i clicked to add atom. “Choose an atom type (scattering power)” window has opened. I chose scattering power atom in this window. Then i did “convert atoms to a molecule” in scatterers section. I clicked on Formula & Restraints button in the opening section. I chose Debug Test in this section. The program stopped working again. When i did the debug test, the program gives error. This error should be fixed.

 

Recording Of The Bug

 

https://i.hizliresim.com/m26rV4.gif

 

 

 

 

 

“The Debug Test” feature are ending up with shutdown of the program in the situations above
 
The FOX program is not responding.
 
This error should be fixed !


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vincefn commented 6 years ago

This was due to the special case of a single-atom molecule. Maybe would also occur if a molecule atom was not linked to any other. Fixed in 3ec8cf553fb6b242ab4e9af1cfa7556e1f29d092 and also 47b7e19d925701cee47fc38011b1a0ef4ec44c8d (similar issue).