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0cdb8dcd5e
* - fix indentation - fix regex check (which currently always fails) * wip * - added clearMolBlockWedgingInfo() - added invertMolBlockWedgingInfo() - MinimalLib::generate_aligned_coords() now inverts stereochemistry if a rigid-body alignment transformation caused chiality inversion - MinimalLib::generate_aligned_coords() now clears stereochemistry if coordinates changed - added JSMol::clear_prop() to the already existing JSMol::get_prop() and JSMol::set_prop() - renamed commonchem to rdkitjson in JS unit test - added relevant unit tests * fixed mistake in logic * - added add_hs_in_place() and remove_hs_in_place() to the JS MinmalLib - added relevant tests * - removed check for existence of a property ahead of clearing it as it is not necessary; updated the clearProp docstring to reflect this - updated the MolFileStereochem.h docstrings based on review comments and fixed a typo - fixed two (legitimate) compiler warnings as get_molblock() and get_v3kmolblock() should return nullptr and not a pointer to an empty string; added tests for this as there was none - in MinimalLib/common.h, moved the check of whether a molecule has undergone a flip around the Z axis to a function in the anonymous namespace - in MinimalLib/common.h, added logic to preserve original wedging (and eventually invert it) also when alignOnly is set to false, in case the wedging is all within the constrained scaffold - added thourough testing of the wedging logic on both CFFI and JS sides * - added equality operator to CXXAtomIter and CXXBondIter classes such that they can used with implicit loop STL algorithms - added relevant unit tests * fix Windows build Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>