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Revisions №231

branch: release 「№231」
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 mac.PyRosetta.unit mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels static linux.ui mac.ui serialization integration.mpi performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug linux.clang.python37.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug mac.clang.python35.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug mac.clang.python37.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python35.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python37.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python35.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel mac.clang.python37.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python35.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python37.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release linux.clang.python37.release.PyRosetta4.Release mac.clang.python27.release.PyRosetta4.Release mac.clang.python35.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release mac.clang.python37.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python35.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release ubuntu.clang.python37.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.conda.Release linux.clang.python37.release.PyRosetta4.conda.Release mac.clang.python36.release.PyRosetta4.conda.Release mac.clang.python37.release.PyRosetta4.conda.Release release.PyRosetta4.documentation linux.gcc.static.release.binary mac.clang.static.release.binary release.source linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify 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.