completely remove BOOST_FOREACH#7
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ricrogz merged 2 commits intoricrogz:dev_remove_boost_foreachfrom Feb 17, 2021
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* remove include from headers * update implementation files * completely remove BOOST_FOREACH (#7) * convert those changes to use auto * get rid of all usage of BOOST_FOREACH Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
ricrogz
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…it#5991) * Add CHEMBL filters to the filter catalog * Add catalogs to the top level, add basic tests * Remove explicit hydrogens in queries Changes: acyclic imine: C-!@[NX2]=[C!R,#1]-C -> C-!@[NX2]=[C!R]-C hypervalent hydrogen dropped Filter5_azo: [!#7,#1]~[NX2R0]=[NX2R0]~[!#7,#1] => [!#7]~[NX2R0]=[NX2R0]~[!#7] X is explicit connections, don't need explicit hydrogen Filter18_oxime_ester: [!#7,#1]C=NO[C,S,P](=O)* -> [!#7][CX3]=NO[C,S,P](=O)* Adding explicit connections takes care of #1 Filter30_beta_halo_carbonyl: [#6,#1]C(=O)CC[Br,I] -> [$(C(-C)(-C)(=O)),$([CH](=O)-C)](=O)CC[Br,I] Make explicit recursive smarts for the #6,#1 * Remove std::cout * Add a basic test that we can get the CHEMBL filters * Add CHEMBL filters to wrappers * Fix a dropped paren * Fix capitalization * Fix more hydrogen or queries * Finish removing hydrogens in ors, add tests * Separate the filter files for readability * Add missing zinc.in * Remove Filters.cpp.in --------- Co-authored-by: Brian Kelley <bkelley@relaytx.com>
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Two sets of changes here:
I've been meaning to do 2) for quite a while (thanks for providing the motivation for me to actually do that and getting a start on it!) since BOOST_FOREACH doesn't add anything relative to the standard c++11 range-for loop.