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* add the ring decomposer lib (temporarily?) * simplify makefile * very basics work * backup * basics working * builds and basic tests pass * get this building again * expose the ring families * add tests on the python side * make the pywrapper for this optional * remove some extra bits * cleanup * switch to using RDL as an external project * make sure this still works if we do not use the URF code * remove BUILD_ALWAYS * fix linkage of Java wrapper and cartridge (hopefully) * fix cmake for wrappers (hopefully) * forgot a semicolon * try to force URF lib to build first * improve memory management and interface * fix dependency specifier * make pointer initialization explicit This may not be necessary, but it feels safer. * not pleasing and needs to be cleaned up but it builds * not pleasing and needs to be cleaned up but it builds * cleanup in preparation for merging * cleanup in preparation for merging * switch to rareylab repo * fix updated copyright date * Fix updated copyright date * switch to a specific library tag Co-Authored-By: Florian Flachsenberg <flachsenberg@zbh.uni-hamburg.de> * change in response to review
25 lines
784 B
C++
25 lines
784 B
C++
//
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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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#include <RingDecomposerLib.h>
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// We're just building this library to make dependencies brought in via
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// cmake's ExternalProject mechanism work properly
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// As of this writing (July 2019) I was unable to get dependencies to
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// work correctly without adding this bogus library.
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void do_nothing(unsigned n) {
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RDL_graph *graph = RDL_initNewGraph(n);
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for (auto i = 0; i < n - 1; ++i) {
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RDL_addUEdge(graph, i, i + 1);
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}
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RDL_data *urfdata = RDL_calculate(graph);
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RDL_deleteGraph(graph);
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delete urfdata;
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} |