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#ifdef RDK_BUILD_THREADSAFE_SSS
//
// Copyright (C) 2020 Shrey Aryan
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include "MultithreadedMolSupplier.h"
#include <RDGeneral/RDLog.h>
namespace RDKit {
namespace v2 {
namespace FileParsers {
MultithreadedMolSupplier::~MultithreadedMolSupplier() {
endThreads();
// destroy all objects in the input queue
d_inputQueue->clear();
if (df_started) {
std::tuple<RWMol *, std::string, unsigned int> r;
while (d_outputQueue->pop(r)) {
RWMol *m = std::get<0>(r);
delete m;
}
}
// destroy all objects in the output queue
d_outputQueue->clear();
}
void MultithreadedMolSupplier::reader() {
std::string record;
unsigned int lineNum, index;
while (extractNextRecord(record, lineNum, index)) {
if (readCallback) {
try {
record = readCallback(record, index);
} catch (std::exception &e) {
BOOST_LOG(rdErrorLog)
<< "Read callback exception: " << e.what() << std::endl;
}
}
auto r = std::make_tuple(record, lineNum, index);
d_inputQueue->push(r);
}
d_inputQueue->setDone();
}
void MultithreadedMolSupplier::writer() {
std::tuple<std::string, unsigned int, unsigned int> r;
while (d_inputQueue->pop(r)) {
try {
std::unique_ptr<RWMol> mol(
processMoleculeRecord(std::get<0>(r), std::get<1>(r)));
if (mol && writeCallback) {
writeCallback(*mol, std::get<0>(r), std::get<2>(r));
}
auto temp = std::tuple<RWMol *, std::string, unsigned int>{
mol.release(), std::get<0>(r), std::get<2>(r)};
d_outputQueue->push(temp);
} catch (...) {
// fill the queue wih a null value
auto nullValue = std::tuple<RWMol *, std::string, unsigned int>{
nullptr, std::get<0>(r), std::get<2>(r)};
d_outputQueue->push(nullValue);
}
}
if (d_threadCounter != d_params.numWriterThreads) {
++d_threadCounter;
} else {
d_outputQueue->setDone();
}
}
std::unique_ptr<RWMol> MultithreadedMolSupplier::next() {
if (!df_started) {
df_started = true;
startThreads();
}
std::tuple<RWMol *, std::string, unsigned int> r;
if (d_outputQueue->pop(r)) {
d_lastItemText = std::get<1>(r);
d_lastRecordId = std::get<2>(r);
std::unique_ptr<RWMol> res{std::get<0>(r)};
if (res && nextCallback) {
try {
nextCallback(*res, *this);
} catch (...) {
// Ignore exception and proceed with mol as is.
}
}
return res;
}
return nullptr;
}
void MultithreadedMolSupplier::endThreads() {
if (!df_started) {
return;
}
d_readerThread.join();
for (auto &thread : d_writerThreads) {
thread.join();
}
}
void MultithreadedMolSupplier::startThreads() {
// run the reader function in a seperate thread
d_readerThread = std::thread(&MultithreadedMolSupplier::reader, this);
// run the writer function in seperate threads
for (unsigned int i = 0; i < d_params.numWriterThreads; i++) {
d_writerThreads.emplace_back(
std::thread(&MultithreadedMolSupplier::writer, this));
}
}
bool MultithreadedMolSupplier::atEnd() {
return (d_outputQueue->isEmpty() && d_outputQueue->getDone());
}
unsigned int MultithreadedMolSupplier::getLastRecordId() const {
return d_lastRecordId;
}
std::string MultithreadedMolSupplier::getLastItemText() const {
return d_lastItemText;
}
void MultithreadedMolSupplier::reset() {
UNDER_CONSTRUCTION("reset() not supported for MultithreadedMolSupplier();");
}
} // namespace FileParsers
} // namespace v2
} // namespace RDKit
#endif
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