Bug #1219
Selections that use a dynamically evaluated variable in different context may be evaluated incorrectly
Description
Selections are not evalauted correctly if they have a variable with a dynamic value (i.e., needs to be evaluated for each frame) and use that variable both
- in a boolean expression such that its evaluation group was not known in advance, and
- in a context where it was always evaluated for all atoms (either as a selection, or as a parameter to a selection method),
and additionally the latter context appear later in the selection set.
Example of an affected selection is
var = atomnr 1 to 8 and x < 10; atomnr 1 to 5 and y < 10 and var; var;
Typical result is an internal error (out of pooled memory) in the selection engine, but it may be possible that incorrect results also occur.
Related issues
Associated revisions
Fix another bug in selection subexpression handling.
In this case, it did not work correctly if a variable with a dynamic
value was used both
1. in a boolean expression such that its evaluation group was not known
in advance, and
2. in a context where it was always evaluated for all atoms (either as
a selection, or as a parameter to a selection method),
and additionally the latter context appeared later in the selection set.
The initialization of the SEL_CDATA_STATICEVAL flag has a dependency on
SEL_CDATA_FULLEVAL flag, and they were not initialized in the correct
sequence in the above case.
Fixes #1219.
Change-Id: Ic95d37a424c82c796806b3a5b39678e206c467a1
Fix another bug in selection subexpression handling.
In this case, it did not work correctly if a variable with a dynamic
value was used both
1. in a boolean expression such that its evaluation group was not known
in advance, and
2. in a context where it was always evaluated for all atoms (either as
a selection, or as a parameter to a selection method),
and additionally the latter context appeared later in the selection set.
The initialization of the SEL_CDATA_STATICEVAL flag has a dependency on
SEL_CDATA_FULLEVAL flag, and they were not initialized in the correct
sequence in the above case.
Fixes #1219.
Backported from master with the same Change-Id.
Change-Id: Ic95d37a424c82c796806b3a5b39678e206c467a1
Fix another bug in selection subexpression handling.
In this case, it did not work correctly if a variable with a dynamic
value was used both
1. in a boolean expression such that its evaluation group was not known
in advance, and
2. in a context where it was always evaluated for all atoms (either as
a selection, or as a parameter to a selection method),
and additionally the latter context appeared later in the selection set.
The initialization of the SEL_CDATA_STATICEVAL flag has a dependency on
SEL_CDATA_FULLEVAL flag, and they were not initialized in the correct
sequence in the above case.
Fixes #1219.
Change-Id: Ic95d37a424c82c796806b3a5b39678e206c467a1
History
#1 Updated by Teemu Murtola about 4 years ago
- Target version set to 4.5.7
- Affected version - extra info set to 4.5-4.5.6, 4.6-4.6.1
Fix and a backport of it are in gerrit.
#2 Updated by Mark Abraham about 4 years ago
- Status changed from In Progress to Resolved
- Affected version set to 4.5.6
#3 Updated by Teemu Murtola about 4 years ago
This is not yet fully resolved, since https://gerrit.gromacs.org/#/c/2316/ (which fixes this for master, and also adds unit tests) is not yet merged. However, it is not possible to change the status back...
#4 Updated by Mark Abraham about 4 years ago
- Status changed from Resolved to Feedback wanted
#5 Updated by Mark Abraham about 4 years ago
- Status changed from Feedback wanted to In Progress
#6 Updated by Teemu Murtola about 4 years ago
- Status changed from In Progress to Fix uploaded
#7 Updated by Mark Abraham about 4 years ago
- Status changed from Fix uploaded to Resolved
#8 Updated by Mark Abraham about 4 years ago
- Status changed from Resolved to Feedback wanted
#9 Updated by Mark Abraham about 4 years ago
- Status changed from Feedback wanted to In Progress
#10 Updated by Mark Abraham about 4 years ago
- Target version changed from 4.5.7 to 5.0
#11 Updated by Teemu Murtola about 4 years ago
- Status changed from In Progress to Resolved
#12 Updated by Teemu Murtola about 4 years ago
- Status changed from Resolved to Closed
#13 Updated by Teemu Murtola almost 4 years ago
- Category changed from analysis tools to selections