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6cfc8f36a7
* initial commit of Roger's contrib * add the new file to the headers list * clang-format * stub of the python wrapper * code added for testing * code added for testing * add LeaderPicker.seq.h * default pickSize value * first crude python wrapper * Add C++ tests for the LeaderPicker combine the thread and non-thread versions * that was not really a test * support providing a functor from Python * no longer need the .seq header * temporarily disable the threaded version to allow CI runs to pass * some refactoring and cleanup
31 lines
768 B
C++
31 lines
768 B
C++
//
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// Copyright (C) 2003-2006 Rational Discovery LLC
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// Copyright (C) 2019 Greg Landrum
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#define PY_ARRAY_UNIQUE_SYMBOL rdpicker_array_API
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#include <RDBoost/Wrap.h>
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#include <RDBoost/import_array.h>
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namespace python = boost::python;
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void wrap_maxminpick();
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void wrap_leaderpick();
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void wrap_HierarchCP();
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BOOST_PYTHON_MODULE(rdSimDivPickers) {
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python::scope().attr("__doc__") =
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"Module containing the diversity and similarity pickers";
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rdkit_import_array();
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wrap_maxminpick();
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wrap_leaderpick();
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wrap_HierarchCP();
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}
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