Opened 5 years ago

Closed 5 years ago

#3405 closed enhancement (fixed)

Orderable TmplAtom

Reported by: Tristan Croll Owned by: pett
Priority: normal Milestone:
Component: Core Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Linux-3.10.0-1062.9.1.el7.x86_64-x86_64-with-centos-7.7.1908-Core
ChimeraX Version: 1.0 (2020-06-04 23:15:07 UTC)
Description
Minor API-related issue, but it would be good if `TmplAtom` had some form of `__lt__` method defined to make it orderable. I'm not sure if it particularly matters how (by name?), but orderability is required for some algorithms (e.g. `networkx.isomorphism.ISMAGS` for finding the maximal isomorphous subgraph between a residue and its template). In this case I can trivially work around it by switching the order of arguments since `Atom` *is* orderable, so there's absolutely no urgency here.

Log:
UCSF ChimeraX version: 1.0 (2020-06-04)  
© 2016-2020 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 3.3.0 NVIDIA 440.33.01
OpenGL renderer: TITAN Xp/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: Dell Inc.
Model: Precision T5600
OS: CentOS Linux 7 Core
Architecture: 64bit ELF
CPU: 32 Intel(R) Xeon(R) CPU E5-2687W 0 @ 3.10GHz
Cache Size: 20480 KB
Memory:
	              total        used        free      shared  buff/cache   available
	Mem:            62G        5.0G         46G        181M         10G         57G
	Swap:          4.9G          0B        4.9G

Graphics:
	03:00.0 VGA compatible controller [0300]: NVIDIA Corporation GP102 [TITAN Xp] [10de:1b02] (rev a1)	
	Subsystem: NVIDIA Corporation Device [10de:11df]	
	Kernel driver in use: nvidia
PyQt version: 5.12.3
Compiled Qt version: 5.12.4
Runtime Qt version: 5.12.8

Change History (5)

in reply to:  1 ; comment:1 by Tristan Croll, 5 years ago

Hmm... I stand corrected. I *can't* work around it by changing the order 
of arguments - but I'm sure I can figure something out.

On 2020-06-16 15:22, ChimeraX wrote:

comment:2 by pett, 5 years ago

Component: UnassignedCore
Owner: set to pett
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionOrderable TmplAtom
Type: defectenhancement

comment:3 by pett, 5 years ago

What defines TmplAtom?

in reply to:  4 ; comment:4 by Tristan Croll, 5 years ago

chimerax.atomic.cytmpl.TmplAtom

On 2020-06-16 17:40, ChimeraX wrote:

comment:5 by pett, 5 years ago

Resolution: fixed
Status: acceptedclosed

TmplAtom now sorts on name. In the next daily build.

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