Opened 9 years ago

Last modified 9 years ago

#466 assigned defect

Use map for CoordSets

Reported by: Tom Goddard Owned by: pett@…
Priority: major Milestone:
Component: MD/Ensemble Analysis Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description (last modified by Eric Pettersen)

For performance, change CoordSets from vector to map. As per T.G.:

I think finding a coordinate set from its id needs to be a map lookup rather than scanning the vector of potentially thousands of coordinate sets. For instance if I cycle through every coordinate set (for instance to compute crosslink lengths) then I end up looking up every single coordinate set id and with a vector scan it takes order N squared time where N might be 10,000 coordinate frames. It’s not a problem with my current 1000 coordinate set ensembles.

Change History (13)

comment:1 by Eric Pettersen, 9 years ago

Description: modified (diff)

comment:2 by Eric Pettersen, 9 years ago

Description: modified (diff)

comment:3 by Eric Pettersen, 9 years ago

Just a test change to see what shows up in the Trac log.

comment:4 by Eric Pettersen, 9 years ago

Okay, another test change.

in reply to:  5 ; comment:5 by goddard@…, 9 years ago 

I got two emails for the two Trac comments on this ticket.

in reply to:  6 ; comment:6 by Eric Pettersen, 9 years ago 

Okay, sending email as test.

in reply to:  7 ; comment:7 by Eric Pettersen, 9 years ago 

More email testing.

in reply to:  8 ; comment:8 by Conrad Huang, 9 years ago 

On 5/10/2017 4:34 PM, Eric Pettersen wrote:

More testing.

in reply to:  9 ; comment:9 by Conrad Huang, 9 years ago 

On 5/10/2017 4:34 PM, Eric Pettersen wrote:
More testing 2

in reply to:  10 ; comment:10 by Conrad Huang, 9 years ago 

On 5/10/2017 4:34 PM, Eric Pettersen wrote:
Testing 3

comment:11 by Conrad Huang, 9 years ago

Owner: changed from Eric Pettersen to pett@…
Status: new → assigned

in reply to:  12 ; comment:12 by Conrad Huang, 9 years ago 

On 5/10/2017 4:34 PM, Eric Pettersen wrote:
Testing 4

in reply to:  13 ; comment:13 by Conrad Huang, 9 years ago 

On 5/10/2017 4:34 PM, Eric Pettersen wrote:
Test 5
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