/*
* Copyright 2009-2017 The VOTCA Development Team
* (http://www.votca.org)
*
* Licensed under the Apache License, Version 2.0 (the "License")
*
* You may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
*
*/
#ifndef VOTCA_XTP_JOBAPPLICATION
#define VOTCA_XTP_JOBAPPLICATION
#include <votca/xtp/xtpapplication.h>
#include <votca/xtp/progressobserver.h>
#include <votca/xtp/topology.h>
#include "statesaversqlite.h"
#include <votca/xtp/jobcalculator.h>
namespace votca { namespace xtp {
class JobApplication : public XtpApplication
{
public:
JobApplication();
~JobApplication() {
for (JobCalculator* calculator : _calculators) {
delete calculator;
}
};
void Initialize();
bool EvaluateOptions();
void Run(void);
virtual void BeginEvaluate(int nThreads, ProgObserver< std::vector<Job*>, Job*, Job::JobResult> *obs);
virtual bool EvaluateFrame();
virtual void EndEvaluate();
void AddCalculator(JobCalculator *calculator);
protected:
bool _generate_input, _run, _import;
Topology _top;
std::list< JobCalculator* > _calculators;
};
}}
#endif // VOTCA_XTP_JOBAPPLICATION