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Revisions №60890

branch: master 「№60890」
Commited by: Andrew Leaver-Fay
GitHub commit link: 「767c1ea25c572fbc」
Difference from previous tested commit:  code diff
Commit date: 2019-08-22 09:19:33
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta4.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres linux.clang.python36.build.debug linux.zeromq.debug mpi mpi.serialization linux.icc.build.debug OpenCL mac.clang.python36.build.debug build.header build.levels ninja graphics static linux.ui mac.ui build.xcode beautification code_quality.clang_analysis serialization integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration performance profile release.source scientific.mp_domain_assembly linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release util.apps

Fix bug: InterfaceGroupByVector order dependency (#4142) The InterfaceGroupByVector selector was sensitive to the order in which residues were presented it, failing to detect interactions between residue i in group 1 and residue j in group 2 if j < i. Why? The UpperEdgeGraph stores only the edges to higher- indexed nodes and is used for neighbor detection because it is fast to add edges to this kind of graph. It's not the right choice, however, if you're trying to iterate across all neighbors of a particular set of residues. Because the InterfaceGroupByVector class used this graph, it would miss residues at the interface between two sets if the lower-indexed residues were listed second; e.g. if you have a pose w/ chains A and B (and A comes first) and you created an IGBV where you said the two groups were chain B and chain A (in that order), then the IGBV would find no residues at the interface.

...
Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
rnp_ddg_finalize
Test: mac.clang.integration

Failed sub-tests (click for more details):
broker
Test: linux.clang.scientific.mp_domain_assembly

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