PYTHON_INSTDIR caused by backslash separators
- do not attempt to remove stdout, stderr files which are being written,
and hence are locked, by the same process when building in the source
directory (as happens for conda builds)
- raise an exception if an import fails, as it is almost certainly an
error which should not be ignored
with cmake --build . --target stubs (also make stubs on *NIX)
- improved the patching script to do a better assignment of
overloaded constructor parameters, whcih results in a number
of docstring fixes
Co-authored-by: ptosco <paolo.tosco@novartis.com>
* - added gen_rdkit_stubs Python module to generate rdkit-stubs
- added patch_rdkit_docstrings Python module to patch existing C++ sources to fix docstrings missing self parameter and add named parameters taken from C++ signatures where possible
- added rdkit-stubs/CMakeLists.txt to build rdkit-stubs as part of the RDKit build
- added an option to CMakeLists.txt to enable building rdkit-stubs as part of the RDKit build (defaults to OFF)
* fixed CMakeLists.txt, rdkit-stubs/CMakeLists.txt and a doctest
* - added missing cmp_func parameter
- fixed case with overloads with optional parameters
- do not trim params if expected_param_count == -1
- add dummy parameter names if we could not find any
- keep into account member functions when making up parameter names
- address __init__ and make_constructor __init__ functions
- fix incorrectly assigned staticmethods
* patched sources
* address residual few remarks
---------
Co-authored-by: ptosco <paolo.tosco@novartis.com>
* remove all of the "from __future__" imports
* remove the first batch of rdkit.six imports/uses
* next step of rdkit.six removal
* removing xrange, range, and some maps
* next round of removals
* next round of cleanups
* fix inchi test
* last bits of "from rdkit.six" are gone
* and the last of the six stuff is gone
* strange importlib problem
* added Scripts/create_deb_packages.sh
* better comment
* more cmake options
* rm ignored rdkitversion cmake flag
because it is overwritten by what is found in CMakeLists.txt:
```
set(RDKit_Year "2018")
set(RDKit_Month "05")
```
* this deps list is for Ubuntu
* rm -Wno-dev cmake option
* updated dependencies in comments
* first pass at adding an installation option for running the python tests
* only install the run_python_tests script if the tests themselves are installed
* 1194: Review assignments of range in Python code
Task-Url: https://github.com/rdkit/rdkit/issues/1194
Either wrapped the range expression into a list or made sure that the
code is working with a range object.
* Refactored FeatFinderCLI script
* Add unit test file for CLI apps in rdkit.Chem
Add tests for FeatFinderCLI
* Renamed the unit test file
* Slight improvement to test coverage
* Address comments from review
* Add script to Scripts folder #1305
* Replaced all uses of dict.has_key(key) in Python code - part 1
* Replaced all uses of dict.has_key(key) in Python code - part 1
* Replaced all uses of dict.has_key(key) in Python code - part 2 (sping)
