diff --git a/CHANGELOG.txt b/CHANGELOG.txt index 1fbce23648212c90ee0f65b8674d4fdfccbac73c..d005b3ea975b422bcbb5bd5082c5b1061b085de8 100644 --- a/CHANGELOG.txt +++ b/CHANGELOG.txt @@ -1,3 +1,9 @@ +Changes in Release 2.x +-------------------------------------------------------------------------------- + + * Use the newer voronota implementation as default in CAD-score binding + * Several minor bug fixes and improvements. + Changes in Release 2.0.0 -------------------------------------------------------------------------------- diff --git a/cmake_support/OST.cmake b/cmake_support/OST.cmake index 3b6821210f742eefd36ca60cef70bc4674c6a41f..7d6ff14ef327bbbf46a089f692f7971676717ff1 100644 --- a/cmake_support/OST.cmake +++ b/cmake_support/OST.cmake @@ -442,14 +442,15 @@ endmacro() # ui_to_python(libname stagedir[input_file1 ...]) # Description: # Calls pyuic on every input file. The resulting python files are stored in -# the variable with name out_files. +# the variable with name out_files. Use with care. Has originally been +# implemented for pyuic4 and ported to pyuic5 without testing. #------------------------------------------------------------------------------- macro(ui_to_python LIBNAME PYMODDIR STAGEDIR) set(_input_files ${ARGN}) add_custom_target("${LIBNAME}_ui" ALL) add_dependencies("_${LIBNAME}" "${LIBNAME}_ui") find_program(_PYUIC_EXECUTABLE - NAMES pyuic4-${PYTHON_VERSION} pyuic4 pyuic pyuic4.bat + NAMES pyuic5-${PYTHON_VERSION} pyuic5 pyuic pyuic5.bat PATHS ENV PATH ) if(NOT _PYUIC_EXECUTABLE) @@ -503,7 +504,8 @@ endmacro() # # Description: # Define a python module consisting of C++ type wrappers and/or code written in -# Python. +# Python. user_interface_files are handled with ui_to_python that has blindly +# been ported from QT4 to QT5 without testing. Use with care. # NAME is the name of #------------------------------------------------------------------------------- macro(pymod) diff --git a/modules/bindings/pymod/cadscore.py b/modules/bindings/pymod/cadscore.py index 5d931b04fc865c3f28264de4f5fe9be944ebd741..7ecf79874e65ae912f5b4e189f7a6e61e8edade2 100644 --- a/modules/bindings/pymod/cadscore.py +++ b/modules/bindings/pymod/cadscore.py @@ -263,7 +263,7 @@ def _MapLabels(model, cad_results, label): "could not be found in model.") r.SetFloatProp(label, v) -def CADScore(model, reference, mode = "classic", label = "localcad", +def CADScore(model, reference, mode = "voronota", label = "localcad", old_regime = False, cad_bin_path = None): """ Calculates global and local atom-atom (AA) CAD Scores. diff --git a/modules/seq/base/doc/seq.rst b/modules/seq/base/doc/seq.rst index dec35ea21c04484d3637559652cc3d4f3013f5e3..e210687d102b159c1196596f9ac759846f807115 100644 --- a/modules/seq/base/doc/seq.rst +++ b/modules/seq/base/doc/seq.rst @@ -755,7 +755,8 @@ probabilities between Match, Insertion or Deletion states or neff values :type to: :class:`int` :returns: sub-profile as defined by given indices - (:attr:`null_model` is copied) + (:attr:`null_model` and :attr:`neff` are copied, + you might want to manually reset neff) :rtype: :class:`ProfileHandle` :raises: :exc:`~exceptions.Error` if *to* <= *from* or diff --git a/modules/seq/base/src/profile_handle.cc b/modules/seq/base/src/profile_handle.cc index 8a4582620d95644a4ec842e2c56c3e9682685ff9..80b4565838f3ac0c888a766c0fa2be36635bb8a1 100644 --- a/modules/seq/base/src/profile_handle.cc +++ b/modules/seq/base/src/profile_handle.cc @@ -149,6 +149,7 @@ ProfileHandlePtr ProfileHandle::Extract(uint from, uint to) const { // get subset to return ProfileHandlePtr return_prof(new ProfileHandle); return_prof->SetNullModel(null_model_); + return_prof->SetNeff(neff_); for (uint i = from; i < to; ++i) { return_prof->AddColumn(columns_[i], seq_[i]); }