/*
* Copyright 2009-2019 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.
*
*/
#pragma once
#ifndef VOTCA_XTP_JOBAPPLICATION
#define VOTCA_XTP_JOBAPPLICATION
#include <votca/xtp/xtpapplication.h>
#include <votca/xtp/progressobserver.h>
#include <votca/xtp/topology.h>
#include "statesaver.h"
#include <votca/xtp/jobcalculator.h>
namespace votca {
namespace xtp {
class JobApplication : public XtpApplication {
public:
JobApplication();
~JobApplication() override = default;
void Initialize() override;
bool EvaluateOptions() override;
void Run() override;
void BeginEvaluate(Index nThreads, Index ompthread,
ProgObserver<std::vector<Job> > &jobs);
bool EvaluateFrame(Topology &top);
void SetCalculator(JobCalculator *calculator);
protected:
bool _generate_input = false;
bool _run = false;
bool _import = false;
std::unique_ptr<JobCalculator> _calculator;
};
} // namespace xtp
} // namespace votca
#endif // VOTCA_XTP_JOBAPPLICATION