GaussianShapeOverlapFunction.hpp

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/* 
 * GaussianShapeOverlapFunction.hpp 
 *
 * This file is part of the Chemical Data Processing Toolkit
 *
 * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
 *
 * This library is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public
 * License as published by the Free Software Foundation; either
 * version 2 of the License, or (at your option) any later version.
 *
 * This library 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
 * Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public License
 * along with this library; see the file COPYING. If not, write to
 * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
 * Boston, MA 02111-1307, USA.
 */
 
#ifndef CDPL_SHAPE_GAUSSIANSHAPEOVERLAPFUNCTION_HPP
#define CDPL_SHAPE_GAUSSIANSHAPEOVERLAPFUNCTION_HPP
 
#include <cstddef>
#include <memory>
#include <functional>
 
#include "CDPL/Shape/APIPrefix.hpp"
#include "CDPL/Math/VectorArray.hpp"
 
 
namespace CDPL
{
 
    namespace Shape
    {
 
        class GaussianShapeFunction;
 
        class CDPL_SHAPE_API GaussianShapeOverlapFunction
        {
 
          public:
            typedef std::shared_ptr<GaussianShapeOverlapFunction> SharedPointer;
 
            typedef std::function<bool(std::size_t)>              ColorFilterFunction;
 
            typedef std::function<bool(std::size_t, std::size_t)> ColorMatchFunction;
 
            virtual ~GaussianShapeOverlapFunction() {}
 
            virtual void setShapeFunction(const GaussianShapeFunction& func, bool is_ref) = 0;
 
            virtual const GaussianShapeFunction* getShapeFunction(bool ref) const = 0;
 
            virtual void setColorMatchFunction(const ColorMatchFunction& func) = 0;
 
            virtual const ColorMatchFunction& getColorMatchFunction() const = 0;
 
            virtual void setColorFilterFunction(const ColorFilterFunction& func) = 0;
 
            virtual const ColorFilterFunction& getColorFilterFunction() const = 0;
 
            virtual double calcSelfOverlap(bool ref) const = 0;
 
            virtual double calcColorSelfOverlap(bool ref) const = 0;
 
            virtual double calcOverlap() const = 0;
 
            virtual double calcColorOverlap() const = 0;
 
            virtual double calcOverlap(const Math::Vector3DArray& coords) const = 0;
 
            virtual double calcColorOverlap(const Math::Vector3DArray& coords) const = 0;
 
            virtual double calcOverlapGradient(const Math::Vector3DArray& coords, Math::Vector3DArray& grad) const = 0;
 
          protected:
            GaussianShapeOverlapFunction() {}
 
            GaussianShapeOverlapFunction(const GaussianShapeOverlapFunction& func) {}
 
            GaussianShapeOverlapFunction& operator=(const GaussianShapeOverlapFunction& func)
            {
                return *this;
            }
        };
    } // namespace Shape
} // namespace CDPL
 
#endif // CDPL_SHAPE_GAUSSIANSHAPEOVERLAPFUNCTION_HPP