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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
debug
release
unit
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.