/*
 *            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_SQLAPPLICATION_H
#define	VOTCA_XTP_SQLAPPLICATION_H


#include <votca/xtp/topology.h>
#include <votca/xtp/qmcalculator.h>

#include <votca/xtp/xtpapplication.h>
#include <votca/xtp/statesaversqlite.h>




namespace votca { namespace xtp {


class SqlApplication : public XtpApplication
{
public:
    SqlApplication();

    ~SqlApplication() {
        for (QMCalculator* calculator : _calculators) {
            delete calculator;
        }
    };

   void Initialize();
   bool EvaluateOptions();
   void Run(void);

   virtual void BeginEvaluate(int nThreads);
   virtual bool EvaluateFrame();
   virtual void EndEvaluate();

   void AddCalculator(QMCalculator *calculator);

protected:

    Topology           _top;
    std::list< QMCalculator* >   _calculators;

};

}}









#endif // VOTCA_XTP_SQLAPPLICATION_H