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Revisions №60735

branch: master 「№60735」
Commited by: Vikram K. Mulligan
GitHub commit link: 「33e358d32e268bf5」 「№3953」
Difference from previous tested commit:  code diff
Commit date: 2019-05-09 13:30:25
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.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 serialization integration.mpi integration.release_debug integration performance profile release.source 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

Merge pull request #3953 from RosettaCommons/vmullig/bin_analysis_in_cluster_app Add bin string analysis to energy_based_clustering application This allows the number of unique ABOXYZ bin strings (with or without cyclic permutation, depending on whether cyclic permutations during clustering are allowed) to be counted. Completed tasks: - Add flag for this analysis. - Checks that this is only being applied to alpha-amino acids or to peptoids. - Add functions for computing bin strings. - Add counters for unique bin strings. - Add output: - Bin strings for every structure. - Bin strings for every cluster center. - Summary of number of unique bin strings (for structures and for cluster centers). - Summary of number of unique bin strings if strings and their mirror images are considered to be equivalent (for structures and for cluster centers). - Unit tests. - Beauty. - Documentation -- added to this page: https://www.rosettacommons.org/docs/latest/application_documentation/analysis/energy_based_clustering_application (though it may take a day or so to show up). - Integration test.