Chemical Data Processing Library C++ API - Version 1.4.0
InteractionConstraintConnector.hpp
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1 /*
2  * InteractionConstraintConnector.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_INTERACTIONCONSTRAINTCONNECTOR_HPP
30 #define CDPL_PHARM_INTERACTIONCONSTRAINTCONNECTOR_HPP
31 
32 #include <functional>
33 
34 #include "CDPL/Pharm/APIPrefix.hpp"
35 
36 
37 namespace CDPL
38 {
39 
40  namespace Pharm
41  {
42 
43  class Feature;
44 
50  {
51 
52  public:
56  typedef std::function<bool(const Feature&, const Feature&)> ConstraintFunction;
57 
64  InteractionConstraintConnector(bool and_expr, const ConstraintFunction& func1, const ConstraintFunction& func2):
65  andExpr(and_expr), function1(func1), function2(func2) {}
66 
73  bool operator()(const Feature& ftr1, const Feature& ftr2) const;
74 
75  private:
76  bool andExpr;
77  ConstraintFunction function1;
78  ConstraintFunction function2;
79  };
80  } // namespace Pharm
81 } // namespace CDPL
82 
83 #endif // CDPL_PHARM_INTERACTIONCONSTRAINTCONNECTOR_HPP
Definition of the preprocessor macro CDPL_PHARM_API.
#define CDPL_PHARM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Abstract base class representing a single pharmacophore feature within a parent Pharm::Pharmacophore.
Definition: Feature.hpp:48
Composite feature-interaction constraint that combines two underlying constraint functions via a logi...
Definition: InteractionConstraintConnector.hpp:50
InteractionConstraintConnector(bool and_expr, const ConstraintFunction &func1, const ConstraintFunction &func2)
Constructs a InteractionConstraintConnector that serves as a logical connective for the two specified...
Definition: InteractionConstraintConnector.hpp:64
std::function< bool(const Feature &, const Feature &)> ConstraintFunction
Generic wrapper class used to store feature interaction constraint test functions.
Definition: InteractionConstraintConnector.hpp:56
bool operator()(const Feature &ftr1, const Feature &ftr2) const
Evaluates the combined constraint between features ftr1 and ftr2.
The namespace of the Chemical Data Processing Library.