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Revisions №60560

branch: master 「№60560」
Commited by: Vikram K. Mulligan
GitHub commit link: 「712b1c5287ae56e4」 「№3448」
Difference from previous tested commit:  code diff
Commit date: 2018-12-23 01:19:21
linux.clang linux.gcc linux.srlz mac.clang
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres linux.zeromq.debug mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static mac.clang.static.build.release linux.ui mac.ui build.xcode beautification code_quality.clang_analysis serialization integration.mpi integration.release_debug integration.tutorials integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug mac.clang.python35.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python35.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python35.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python35.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release mac.clang.python27.release.PyRosetta4.Release mac.clang.python35.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python35.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release release.source linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify unit.addsan linux.clang.unit.release linux.gcc.unit.release unit.ubsan

Merge pull request #3448 from RosettaCommons/vmullig/qpacker_io Add I/O modules to allow experimentation with external annealers for packing Half of the packer is easy to parallelize; the other half is hard. Interaction graph setup can be split over many threads or processes, but the simulated annealing trajectory is inherently difficult to parallelize, since each step depends on completion of the previous step. Of course, one could use completely new annealing or optimization strategies -- but that being the case, we shouldn't limit ourselves, especially when experimenting with different optimization strategies. It would be convenient to have an easy way to export the precomputed interaction graph from Rosetta so that an external optimization strategy can be attempted, and then to re-import the external optimizer's result into Rosetta to generate a final structure. To that end, this pull request adds: - A new `StringMetric` that allows output of a precomputed interaction graphs from Rosetta, in a convenient ASCII format that it should be easy to get an external optimizer to read. - A new `ExternalPackerResultLoader` mover that allows the output of an external optimizer to be read back into Rosetta, again using a simple ASCII format that it should be easy to get an external optimizer to write. TODO: - [x] Switch the COPs to COP instances to make Andy happy. - [x] Option to also dump short version of file, without information needed to reconstruct long version. - [x] Integration test. - [x] Documentation. @weitzner, you'll be interested in this.

Test: linux.clang.integration.tutorials

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Test: mac.clang.integration

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Test: linux.clang.performance

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