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8ea1ac6112
* fixed issue #2965 * added test case for issue #2965 * fixed formatting and added comment. * update * General Reader files * removed dependency on boost filesystems * removed class * clang-format * added-comments * further-cleanup * added clang-formatting * braces-for-if-else * changed error messages, added option for windows file path * fixed getFileName function * cleanup * option for filename without path * further-cleanup * added tests for determineFileFormat * cleanup, const arguments for validate function * init * cleanup * cleanup * clang-format does not work for CMake * added RDK_TEST_MULTITHREADED option * add-flag * cleanup * Delete ConcurrentQueue.h This PR deals with the Generalized File Reader. * Delete testConcurrentQueue.cpp This PR deals with the Generalized File Reader. * no change * concurrent queue * print values * Single Producer Multiple Consumer works * cleanup * Producer Consumer Example * update queue methods and tests * cleanup * test * fixed tests * cleanup, updated tests * Delete ProducerConsumer.h * Delete testProducerConsumer.cpp * cleanup * futher cleanup * changes based on feedback * make queue non copyable * psuedocode * possible implementation * untested implementation * change class to typename * basic-setup * need to fix segfault * need to fix blocking * need to fix blocking * need to fix blocking * fix indentation * one possibility * without lambda function * possible fix with some test cases * performance tests * added support for record id and item text * cleanup * cleanup * fixed memory leak and added methods with tests for getting last id and item text * cleanup * added more test cases with different smi files * cleanup * SD mol supplier * modified the parsing for SDMolSupplier * cleanup * cleanup * new file for testing * added support for reading molecule properties with tests * thread-safe logging and exception handling * cleanup * without thread safe logging * cleanup * cleanup, modified MultithreadedSmilesMolSupplier * cleanup, made reader and writer functions private * move O2.sdf * basic python wrapper with tests * cleanup, added new methods for python wrappers * made changes suggested by Andrew * file and compression formats are case-insensitive * cannot open files with gzstream * cleanup * possible fix for opening compressed streams (SMILES) * removed seekg() and tellg() methods from multithreadeded suppliers * cleanup * test cases for python wrappers * some wrapper cleanup * cleanup, removed unused functions * update the MT tests so that they actually do some work also includes some cleanup here * cleanup * remove iterator_next header include * added support for multithreaded readers * use getNumThreadsToUse for multithreaded suppliers * fixed documentation for multithreaded python wrappers * commented performance test * first draft of final evaluation report * removed inline variables * first draft getting started in python * fixed typos in getting started in python * fixed typos * fix documentation tests * fixed documentation tests * added links to important files and PR * added perfomance results * first version of wrappers with compressed streams * getting rid of streambuf stream method * modified General File Reader * make this work when building in non-threads mode * rename a test * rename a function in the python API * rearrange the python test a bit * disable the stream-based constructors in Python * mark the multithreaded classes as experimental Co-authored-by: greg landrum <greg.landrum@gmail.com>
39 lines
940 B
C++
39 lines
940 B
C++
//
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// Copyright (C) 2020 Shrey Aryan
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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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#ifndef RD_WRAP_MTMOLSUPPLIER_H
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#define RD_WRAP_MTMOLSUPPLIER_H
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#include <GraphMol/RDKitBase.h>
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#include <RDBoost/python.h>
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#include <RDBoost/python_streambuf.h>
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#include <RDGeneral/FileParseException.h>
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#include <RDGeneral/export.h>
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namespace RDKit {
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//! Note that this returns a pointer to the supplier itself, so be careful
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//! that it doesn't get deleted by python!
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template <typename T>
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T *MTMolSupplIter(T *suppl) {
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return suppl;
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}
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template <typename T>
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std::string MTMolSupplLastItem(T *supp) {
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return supp->getLastItemText();
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}
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template <typename T>
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unsigned int MTMolSupplLastId(T *supp) {
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return supp->getLastRecordId();
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}
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} // namespace RDKit
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#endif
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