Opened 8 years ago

Closed 8 years ago

#742 closed defect (fixed)

hbonds selrestrict "both" or atomspec gives traceback

Reported by: Elaine Meng Owned by: Eric Pettersen
Priority: major Milestone:
Component: Structure Analysis Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

However, selrestrict "cross" or "any" seem to be working fine.

Example:
open 1zik
sel solvent
disp
hb sel both
(or)
hb sel :tyr

gives something like:

Traceback (most recent call last):
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/cmd_line/tool.py", line 178, in execute
cmd.run(cmd_text)
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/commands/cli.py", line 2366, in run
result = ci.function(session, kw_args)
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/hbonds/cmd.py", line 42, in cmd_hbonds
if (not intermodel or sel_restrict == "both") and structures is None:
File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/atomic/molarray.py", line 126, in eq
return numpy.array_equal(atoms._pointers, self._pointers)
AttributeError: 'str' object has no attribute '_pointers'

AttributeError: 'str' object has no attribute '_pointers'

File "/Users/chimera/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/atomic/molarray.py", line 126, in eq
return numpy.array_equal(atoms._pointers, self._pointers)

See log for complete Python traceback.

If you wish to report this error, send mail to chimerax-bugs@… and describe what you were doing and include a copy of the contents of the log.

Change History (2)

comment:1 by Eric Pettersen, 8 years ago

Status: assignedaccepted

comment:2 by Eric Pettersen, 8 years ago

Resolution: fixed
Status: acceptedclosed

Testing a Collection for equality against a string wasn't returning False (_was_ throwing an error).

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