Tags: SasView/AUSAXS
Tags
Sync with rigidbody branch (AUSAXS#136) * minor optimization to Atom class * removed effective charge stuff from Body * private'd some functions in Body * added symmetry.h header * renamed distance_calculator --> histogram_manager * renamed source files as well * added SimpleCalculator * proof of concept working with HistogramManagerMT * minor math optimizations * removed older symmetry classes * added basic Symmetry.h example; untested * Vector3, Vector, and Matrix are now not inheritable; optimized Vector3 to conform to POD * changed CompactCoordinatesData to contain a Vector3 * minor fix * symmetry manager working in simple cases * symmetries may be working now? * fixed bug and tests * replaced constants::pi with std::numbers::pi * seems to work now * docs update * refactored SymmetryManager; still wip * symmetry rotation tests * Atom refactor (AUSAXS#133) * started refactoring atom class * reworked grid * reworked hydration generation * rigidbody compiles * major test fixes * all grid tests passing * all tests compiling * test fixes * all tests working * trimmed PDBAtom * trimmed PDBStructure * moved CompactCoordinatesData impl to header * changed implicit_hydrogens logic * performance-critical code is now header-only for better inlining * converted more methods to header-only * test fixes * added symmetry save method * added automatic symmetry tests * added PredefinedSymmetries * added SymmetryElement * enforced observer_ptr * refactored parameter generator * working! * preparing to incorporate SymmetryManager * refactoring PartialHistogramManagerMT to use SimpleCalculator * all tests working? * added additional partial_histogram_manager tests * SimpleCalculator now immediately dispatches workers upon job submission * added scale support to SimpleCalculator * compatible with new BS::thread_pool lib * make compilers happy * added missing numbers include * maybe msvc is also happy now * make gcc happy * deleted unused test file * removed another unused test file * fixed tests