Chemical Data Processing Library C++ API - Version 1.1.1
FeatureInteractionScore.hpp
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1 /*
2  * FeatureInteractionScore.hpp
3  *
4  * This file is part of the Chemical Data Processing Toolkit
5  *
6  * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
7  *
8  * This library is free software; you can redistribute it and/or
9  * modify it under the terms of the GNU Lesser General Public
10  * License as published by the Free Software Foundation; either
11  * version 2 of the License, or (at your option) any later version.
12  *
13  * This library is distributed in the hope that it will be useful,
14  * but WITHOUT ANY WARRANTY; without even the implied warranty of
15  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
16  * Lesser General Public License for more details.
17  *
18  * You should have received a copy of the GNU Lesser General Public License
19  * along with this library; see the file COPYING. If not, write to
20  * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
21  * Boston, MA 02111-1307, USA.
22  */
23 
29 #ifndef CDPL_PHARM_FEATUREINTERACTIONSCORE_HPP
30 #define CDPL_PHARM_FEATUREINTERACTIONSCORE_HPP
31 
32 #include <memory>
33 
34 #include "CDPL/Pharm/APIPrefix.hpp"
35 #include "CDPL/Math/Vector.hpp"
36 
37 
38 namespace CDPL
39 {
40 
41  namespace Pharm
42  {
43 
44  class Feature;
45 
50  {
51 
52  public:
56  typedef std::shared_ptr<FeatureInteractionScore> SharedPointer;
57 
62 
63  virtual double operator()(const Feature& ftr1, const Feature& ftr2) const = 0;
64 
65  virtual double operator()(const Math::Vector3D& ftr1_pos, const Feature& ftr2) const = 0;
66 
67  protected:
69  };
70  } // namespace Pharm
71 } // namespace CDPL
72 
73 #endif // CDPL_PHARM_FEATUREINTERACTIONSCORE_HPP
APIPrefix.hpp
Definition of the preprocessor macro CDPL_PHARM_API.
CDPL::Pharm::FeatureInteractionScore
FeatureInteractionScore.
Definition: FeatureInteractionScore.hpp:50
CDPL_PHARM_API
#define CDPL_PHARM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::Math::Vector3D
CVector< double, 3 > Vector3D
A bounded 3 element vector holding floating point values of type double.
Definition: Vector.hpp:1637
CDPL::Pharm::FeatureInteractionScore::FeatureInteractionScore
FeatureInteractionScore()
Definition: FeatureInteractionScore.hpp:68
CDPL::Pharm::FeatureInteractionScore::SharedPointer
std::shared_ptr< FeatureInteractionScore > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated FeatureInteractionScore instances...
Definition: FeatureInteractionScore.hpp:56
CDPL::Pharm::FeatureInteractionScore::operator()
virtual double operator()(const Feature &ftr1, const Feature &ftr2) const =0
CDPL::Pharm::FeatureInteractionScore::~FeatureInteractionScore
virtual ~FeatureInteractionScore()
Virtual destructor.
Definition: FeatureInteractionScore.hpp:61
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Pharm::FeatureInteractionScore::operator()
virtual double operator()(const Math::Vector3D &ftr1_pos, const Feature &ftr2) const =0
CDPL::Pharm::Feature
Feature.
Definition: Feature.hpp:48
Vector.hpp
Definition of vector data types.