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Re: [Bkchem-user] Re: bug in 3D rotation

From: Fabien
Subject: Re: [Bkchem-user] Re: bug in 3D rotation
Date: Tue, 6 Apr 2010 16:40:00 +0200


I have seen this bug and tried to reproduce it on another system but it seems that I found another bug with the 3D rotation which gives a Traceback error that can perhaps help.

How to do it :
* Open bkchem
* Plot a Benzene from a model
* Change one atom to a Nitrogen
* select "rotate", 3D, fix selected bond in 3D
* Pick a bond

The rotation will be possible but the first time it will give you this :
 <type 'exceptions.ValueError'> Exception in Tk callback
  Function: <function <lambda> at 0x2570d70> (type: <type 'function'>)
  Args: (<Tkinter.Event instance at 0x2d4e128>,)
  Event type: ButtonPress (type num: 4)
Traceback (innermost last):
  File "/usr/lib/python2.6/site-packages/Pmw/Pmw_1_3/lib/PmwBase.py", line 1747, in __call__
    return apply(self.func, args)
  File "/usr/lib/python2.6/site-packages/bkchem/paper.py", line 131, in <lambda>
    self.bind( "<Button-1>", lambda e: self._pressed1( e, mod=[]))
  File "/usr/lib/python2.6/site-packages/bkchem/paper.py", line 281, in _pressed1
    Store.app.mode.mouse_down( event, modifiers=mod or [])
  File "/usr/lib/python2.6/site-packages/bkchem/modes.py", line 1292, in mouse_down
    Store.log( _("The selected item must be a bond."), message_type="warn")
  File "/usr/lib/python2.6/site-packages/bkchem/logger.py", line 57, in log
    raise ValueError, "unknown message type %s" % message_type
<type 'exceptions.ValueError'>: unknown message type warn

  Event contents:
    char: ??
    delta: 0
    height: ??
    keycode: ??
    keysym: ??
    keysym_num: ??
    num: 1
    send_event: False
    serial: 6923
    state: 8208
    time: 12124322
    type: 4
    widget: .35839368.39243928.39244504.39264336
    width: ??
    x: 385.0
    x_root: 495
    y: 283.0
    y_root: 487

I am using $ rpm -qa | grep bkchem

Also with the original bug, I have seen that if you rotate the attached file the first time in one bond and stop trying to rotate after the dummy position is not set.

Thanks for this software,

2010/4/6 Beda Kosata <address@hidden>

this is really a nasty bug. I will try to tackle this week and let you
know when I have a fix.
Thanks for reporting it.

       Best regards


OC wrote:
> Hello,
> there is a bug for the 3D rotation around a bond :
> - consider the cis azobenzene (attached).
> - select "rotate", 3D, fix selected bond in 3D
> - select a C-N bond and rotate... the result moves the nitrogen to a
> dummy place (see second file) (this is a bug)
> I don't know how to find a workaround !
> Best regards,
> O.C.

Bedrich Kosata
Laboratory of Informatics and Chemistry
ICT Prague
Czech Republic

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