/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2012 University of Bonn. All rights reserved.
*
*
* This file is part of MoleCuilder.
*
* MoleCuilder is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 2 of the License, or
* (at your option) any later version.
*
* MoleCuilder is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with MoleCuilder. If not, see .
*/
/*
* MPQCFragmentController.cpp
*
* Created on: Aug 27, 2012
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
// boost asio needs specific operator new
#include
#include "CodePatterns/MemDebug.hpp"
#include "MPQCFragmentController.hpp"
#include
#include "Box.hpp"
#include "Helpers/defs.hpp"
#include "Fragmentation/Automation/FragmentJobQueue.hpp"
#include "Jobs/MPQCJob.hpp"
#include "LinearAlgebra/RealSpaceMatrix.hpp"
#include "World.hpp"
bool MPQCFragmentController::addJobsFromQueue()
{
// give them all valid ids
std::vector newjobs = FragmentJobQueue::getInstance().getJobs();
for (std::vector::iterator jobiter = newjobs.begin();
jobiter != newjobs.end();
++jobiter) {
changeJobId((*jobiter), getAvailableId());
}
// add the jobs
addJobs(newjobs);
return (newjobs.size() != 0);
}
void MPQCFragmentController::run()
{
// take jobs from queue and add them
sendJobs(host, port);
RunService("Adding MPQCJobs");
}