「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
debug
release
unit
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 1 year
Odd -- the xcode build seems to start to fail at this point. [list]
Vikram K. Mulligan 1 year
Apologies -- I missed your pull request to fix this. All's well now.
...
Test: mac.clang.build.xcode

 View log

Loading...

 View log in dialog  View log in log in separate window