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a75018fe38
* disable builds of the StructChecker code by default * operator"" _smarts() doesn't need to catch sanitization errors * remove unused function * turn back on some tests that shouldn't have been disabled * Remove unused code from SMARTS parser and simplify a bit SmilesParseOps::AddFragToMol is now used only from the SMARTS parser, so we can simplify the API * Removes obsolete special case code for SMARTS This was relevant when organic atoms in SMARTS queries were stored as two-part queries. * improve SMARTS testing make sure we can generate SMARTS from all the examples and then parse that again. * Fixes #2814 * Fixes #2815 * some additional smarts tests to improve coverage * test copy ctor and getPos * remove obsolete test_list files * include tests for the morgan invariant generators * more cleanups and coverage improvements * remove files that were mistakenly added
36 lines
876 B
C++
36 lines
876 B
C++
//
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// Copyright (C) 2003-2019 Greg Landrum and Rational Discovery LLC
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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 "rdmolops.h"
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#include <RDBoost/python.h>
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#include <RDGeneral/types.h>
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#include <RDBoost/Wrap.h>
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#include <RDBoost/import_array.h>
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#include <RDGeneral/Exceptions.h>
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#include <GraphMol/SanitException.h>
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namespace python = boost::python;
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using namespace RDKit;
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void wrap_molops();
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BOOST_PYTHON_MODULE(rdmolops) {
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python::scope().attr("__doc__") =
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"Module containing RDKit functionality for manipulating molecules.";
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rdkit_import_array();
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// ******************************
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// Functions from MolOps
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//****************************
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wrap_molops();
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}
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