Chemical Data Processing Library C++ API - Version 1.1.1
FeaturePositionMatchFunctor.hpp
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1 /*
2  * FeaturePositionMatchFunctor.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_FEATUREPOSITIONMATCHFUNCTOR_HPP
30 #define CDPL_PHARM_FEATUREPOSITIONMATCHFUNCTOR_HPP
31 
32 #include "CDPL/Pharm/APIPrefix.hpp"
33 
34 #include "CDPL/Math/Matrix.hpp"
35 
36 
37 namespace CDPL
38 {
39 
40  namespace Pharm
41  {
42 
43  class Feature;
44 
49  {
50 
51  public:
52  FeaturePositionMatchFunctor(bool query_mode):
53  qryMode(query_mode) {}
54 
55  bool queryMode() const;
56 
69  double operator()(const Feature& ftr1, const Feature& ftr2) const;
70 
84  double operator()(const Feature& ftr1, const Feature& ftr2, const Math::Matrix4D& xform) const;
85 
86  private:
87  bool qryMode;
88  };
89  } // namespace Pharm
90 } // namespace CDPL
91 
92 #endif // CDPL_PHARM_FEATUREPOSITIONMATCHFUNCTOR_HPP
APIPrefix.hpp
Definition of the preprocessor macro CDPL_PHARM_API.
CDPL_PHARM_API
#define CDPL_PHARM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::Pharm::FeaturePositionMatchFunctor::FeaturePositionMatchFunctor
FeaturePositionMatchFunctor(bool query_mode)
Definition: FeaturePositionMatchFunctor.hpp:52
CMatrix< double, 4, 4 >
CDPL::Pharm::FeaturePositionMatchFunctor::queryMode
bool queryMode() const
CDPL::Pharm::FeaturePositionMatchFunctor::operator()
double operator()(const Feature &ftr1, const Feature &ftr2) const
Checks if the distance between ftr1 and ftr2 is below the allowed maximum and calculates a score refl...
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Pharm::FeaturePositionMatchFunctor
FeaturePositionMatchFunctor.
Definition: FeaturePositionMatchFunctor.hpp:49
Matrix.hpp
Definition of matrix data types.
CDPL::Pharm::FeaturePositionMatchFunctor::operator()
double operator()(const Feature &ftr1, const Feature &ftr2, const Math::Matrix4D &xform) const
Checks if the distance between ftr1 and ftr2 is below the allowed maximum and calculates a score refl...
CDPL::Pharm::Feature
Feature.
Definition: Feature.hpp:48