AbstractState.h

/* Copyright 2016 Kristofer Björnson
 *
 * 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 COM_DAFER45_TBTK_ABSTRACT_STATE
#define COM_DAFER45_TBTK_ABSTRACT_STATE
 
#include "TBTK/AbstractOperator.h"
#include "TBTK/DefaultOperator.h"
#include "TBTK/Index.h"
#include "TBTK/Serializable.h"
 
#include <complex>
#include <initializer_list>
#include <limits>
#include <vector>
 
namespace TBTK{
 
class AbstractState : public Serializable{
public:
    enum StateID{
        Basic = 0,
        STO3G = 1,
        Gaussian = 2
    };
 
    AbstractState(StateID stateID);
 
    virtual ~AbstractState();
 
    virtual AbstractState* clone() const = 0;
 
    virtual std::complex<double> getOverlap(const AbstractState &ket) const = 0;
 
    virtual std::complex<double> getMatrixElement(
        const AbstractState &ket,
        const AbstractOperator &o = DefaultOperator()
    ) const = 0;
 
    StateID getStateID() const;
 
    void setCoordinates(std::initializer_list<double> coordinates);
 
    void setCoordinates(const std::vector<double> &coordinates);
 
    void setSpecifiers(std::initializer_list<int> specifiers);
 
    void setSpecifiers(const std::vector<int> &specifiers);
 
    void setIndex(const Index &index);
 
    void setContainer(const Index &container);
 
    void setExtent(double extent);
 
    const std::vector<double>& getCoordinates() const;
 
    const std::vector<int>& getSpecifiers() const;
 
    const Index& getIndex() const;
 
    const Index& getContainer() const;
 
    double getExtent() const;
 
    bool hasFiniteExtent() const;
 
    std::string serialize(Mode mode) const;
private:
    StateID stateID;
 
    std::vector<double> coordinates;
 
    std::vector<int> specifiers;
 
    Index index;
 
    Index container;
 
    double extent;
};
 
inline AbstractState::StateID AbstractState::getStateID() const{
    return stateID;
}
 
inline void AbstractState::setIndex(const Index& index){
    this->index = index;
}
 
inline void AbstractState::setContainer(const Index& container){
    this->container = container;
}
 
inline void AbstractState::setExtent(double extent){
    this->extent = extent;
}
 
inline const std::vector<double>& AbstractState::getCoordinates() const{
    return coordinates;
}
 
inline const std::vector<int>& AbstractState::getSpecifiers() const{
    return specifiers;
}
 
inline const Index& AbstractState::getIndex() const{
    return index;
}
 
inline const Index& AbstractState::getContainer() const{
    return container;
}
 
inline double AbstractState::getExtent() const{
    return extent;
}
 
inline bool AbstractState::hasFiniteExtent() const{
    if(std::numeric_limits<double>::has_infinity)
        return !(extent == std::numeric_limits<double>::infinity());
    else
        return !(extent == std::numeric_limits<double>::max());
}
 
};  //End of namespace TBTK
 
#endif