Chemical Data Processing Library C++ API - Version 1.1.1
AlignmentResult.hpp
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1 /*
2  * AlignmentResult.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_SHAPE_ALIGNMENTRESULT_HPP
30 #define CDPL_SHAPE_ALIGNMENTRESULT_HPP
31 
32 #include <cstddef>
33 
34 #include "CDPL/Shape/APIPrefix.hpp"
35 #include "CDPL/Math/Matrix.hpp"
36 
37 
38 namespace CDPL
39 {
40 
41  namespace Shape
42  {
43 
45  {
46 
47  public:
49 
50  const Math::Matrix4D& getTransform() const;
51 
52  void setTransform(const Math::Matrix4D& xform);
53 
54  double getScore() const;
55 
56  void setScore(double score);
57 
58  std::size_t getReferenceShapeSetIndex() const;
59 
60  void setReferenceShapeSetIndex(std::size_t idx);
61 
62  std::size_t getReferenceShapeIndex() const;
63 
64  void setReferenceShapeIndex(std::size_t idx);
65 
66  std::size_t getAlignedShapeIndex() const;
67 
68  void setAlignedShapeIndex(std::size_t idx);
69 
70  double getReferenceSelfOverlap() const;
71 
72  void setReferenceSelfOverlap(double overlap);
73 
75 
76  void setReferenceColorSelfOverlap(double overlap);
77 
78  double getAlignedSelfOverlap() const;
79 
80  void setAlignedSelfOverlap(double overlap);
81 
83 
84  void setAlignedColorSelfOverlap(double overlap);
85 
86  double getOverlap() const;
87 
88  void setOverlap(double overlap);
89 
90  double getColorOverlap() const;
91 
92  void setColorOverlap(double overlap);
93 
94  private:
96  double score;
97  std::size_t refShapeSetIdx;
98  std::size_t refShapeIdx;
99  std::size_t algdShapeIdx;
100  double refSelfOverlap;
101  double refColSelfOverlap;
102  double algdSelfOverlap;
103  double algdColSelfOverlap;
104  double overlap;
105  double colOverlap;
106  };
107  } // namespace Shape
108 } // namespace CDPL
109 
110 #endif // CDPL_SHAPE_ALIGNMENTRESULT_HPP
CDPL::Shape::AlignmentResult::getColorOverlap
double getColorOverlap() const
CMatrix< double, 4, 4 >
CDPL::Shape::AlignmentResult::getReferenceColorSelfOverlap
double getReferenceColorSelfOverlap() const
CDPL::Shape::AlignmentResult::getReferenceShapeSetIndex
std::size_t getReferenceShapeSetIndex() const
CDPL::Shape::AlignmentResult::setAlignedShapeIndex
void setAlignedShapeIndex(std::size_t idx)
CDPL::Shape::AlignmentResult::getAlignedShapeIndex
std::size_t getAlignedShapeIndex() const
CDPL::Shape::AlignmentResult::setColorOverlap
void setColorOverlap(double overlap)
CDPL::Shape::transform
CDPL_SHAPE_API void transform(GaussianShape &shape, const Math::Matrix4D &xform)
CDPL::Shape::AlignmentResult::getOverlap
double getOverlap() const
CDPL::Shape::AlignmentResult::getScore
double getScore() const
CDPL::Shape::AlignmentResult::setReferenceShapeIndex
void setReferenceShapeIndex(std::size_t idx)
CDPL::Shape::AlignmentResult::getReferenceSelfOverlap
double getReferenceSelfOverlap() const
CDPL::Shape::AlignmentResult::getAlignedSelfOverlap
double getAlignedSelfOverlap() const
CDPL::Shape::AlignmentResult::setScore
void setScore(double score)
CDPL::Shape::AlignmentResult::setAlignedColorSelfOverlap
void setAlignedColorSelfOverlap(double overlap)
CDPL_SHAPE_API
#define CDPL_SHAPE_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::Shape::AlignmentResult::getTransform
const Math::Matrix4D & getTransform() const
CDPL::Shape::AlignmentResult::setReferenceSelfOverlap
void setReferenceSelfOverlap(double overlap)
CDPL::Shape::AlignmentResult::setTransform
void setTransform(const Math::Matrix4D &xform)
CDPL
The namespace of the Chemical Data Processing Library.
APIPrefix.hpp
Definition of the preprocessor macro CDPL_SHAPE_API.
CDPL::Shape::AlignmentResult::setAlignedSelfOverlap
void setAlignedSelfOverlap(double overlap)
CDPL::Shape::AlignmentResult
Definition: AlignmentResult.hpp:45
Matrix.hpp
Definition of matrix data types.
CDPL::Shape::AlignmentResult::getReferenceShapeIndex
std::size_t getReferenceShapeIndex() const
CDPL::Shape::AlignmentResult::getAlignedColorSelfOverlap
double getAlignedColorSelfOverlap() const
CDPL::Shape::AlignmentResult::setReferenceShapeSetIndex
void setReferenceShapeSetIndex(std::size_t idx)
CDPL::Shape::AlignmentResult::setReferenceColorSelfOverlap
void setReferenceColorSelfOverlap(double overlap)
CDPL::Shape::AlignmentResult::AlignmentResult
AlignmentResult()
CDPL::Shape::AlignmentResult::setOverlap
void setOverlap(double overlap)