「view this page in B3 βῆτα server」

Revisions №62020

branch: master 「№62020」
Commited by: Rocco Moretti
GitHub commit link: 「6782069df68f44d7」 「№6343」
Difference from previous tested commit:  code diff
Commit date: 2023-06-12 14:28:26
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.valgrind integration performance profile scientific.ligand_scoring_ranking.debug linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Merge pull request #6343 from RosettaCommons/roccomoretti/avoid_atomtree_updates Speed up PDB loading by deferring AtomTree updates. Benchmarking indicates that ~10-15% of the time for PDB loading is due to AtomTree::update_sequence_numbering(), which is called for each residue addition. This is completely unnecessary, as we can just call setup_atom_tree() after we're all done adding the residues. To enable this we create a new Conformation function which takes a list of residues to append and does the addition all at once. A quick test shows we do save ~10-15% of the time with this approach, and as far as I can tell we don't lose anything by the rearrangement.