Opened 10 years ago

Closed 10 years ago

Last modified 10 years ago

#131 closed defect (fixed)

Unknown invert atom type: N3

Reported by: Tom Goddard Owned by: Eric Pettersen
Priority: major Milestone:
Component: Core Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: chimera

Description

Opening mmcif 128d twice gives an error

"Unknown invert atom type: N3"

It doesn't give that error when the first copy is opened, only after the second copy is opened. Actually sometimes it requires opening 5 or more copies. The error is not completely reproducible. I was not able produce the error at all with pdb format 128d.

Change History (2)

comment:1 by Eric Pettersen, 10 years ago

Resolution: fixed
Status: newclosed

Turns out that iteration through an std::set is guaranteed to be ordered and the ring-perception algorithm depends on that! Switch from unordered_set.

comment:2 by Eric Pettersen, 10 years ago

Component: Molecular DataCore
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