「view this page in B3 βῆτα server」

Revisions №60537

branch: master 「№60537」
Commited by: Jared Adolf-Bryfogle
GitHub commit link: 「e1185d22633f69b3」 「№3672」
Difference from previous tested commit:  code diff
Commit date: 2018-12-13 13:52:48
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 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

Merge pull request #3672 from RosettaCommons/jadolfbr/new_simple_metrics Add 3 new SimpleMetrics with associated unit and integration tests. Documentation has been updated for this incoming PR. ResidueSummaryMetric ================= The `ResidueSummaryMetric` takes a `PerResidueRealMetric` and summarizes the data in various ways, such as the mean, sum, or the number of residues above, below, or equal to a certain value. This Metric is itself a `RealMetric` and can be used as such in filters, features reporters, etc. Can use cached metric data. InteractionEnergyMetric ================= A metric for measuring the interaction energy between residues using two sets of residue selectors. If residue_selector2 is unset, will use TrueResidueSelector to compare 1 with all other residues. `Rama_prepro` and `pro_close` are ignored by default. Options are included for only including a subset of score types or skipping a set of score types. Uses the EnergyMap to find edges and calculates the energy in that way. PerResidueClashMetric ================= A SimpleMetric that calculates the number of atomic clashes per residue using the LJ radius (at 0) using two residue selectors. Default is to use a soft radius, which reduces it by 33% (the dampening of which can be set.). Does not calculate intra-residue clashes. Other ==== Fix serialization of the SimpleMetric custom_type option. Add an `is_bonded` function to Conformation and associated unit test. Change to print out full name of SimpleMetric during RunSimpleMetric's apply function.

Vikram K. Mulligan 2 years
Odd -- the xcode build seems to start to fail at this point. [list]
Vikram K. Mulligan 2 years
Apologies -- I missed your pull request to fix this. All's well now.
Test: mac.clang.build.xcode

 View log


 View log in dialog  View log in log in separate window