Chemical Data Processing Library C++ API - Version 1.1.1
PharmacophoreFitScreeningScore.hpp
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1 /*
2  * PharmacophoreFitScreeningScore.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_PHARMACOPHOREFITSCREENINGSCORE_HPP
30 #define CDPL_PHARM_PHARMACOPHOREFITSCREENINGSCORE_HPP
31 
32 #include "CDPL/Pharm/APIPrefix.hpp"
35 
36 
37 namespace CDPL
38 {
39 
40  namespace Pharm
41  {
42 
47  {
48 
49  public:
50  PharmacophoreFitScreeningScore(double ftr_match_cnt_weight = DEF_FTR_MATCH_COUNT_WEIGHT,
51  double ftr_pos_match_weight = DEF_FTR_POS_MATCH_WEIGHT,
52  double ftr_geom_match_weight = DEF_FTR_GEOM_MATCH_WEIGHT);
53 
55  };
56  } // namespace Pharm
57 } // namespace CDPL
58 
59 #endif // CDPL_PHARM_PHARMACOPHOREFITSCREENINGSCORE_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::PharmacophoreFitScreeningScore::PharmacophoreFitScreeningScore
PharmacophoreFitScreeningScore(double ftr_match_cnt_weight=DEF_FTR_MATCH_COUNT_WEIGHT, double ftr_pos_match_weight=DEF_FTR_POS_MATCH_WEIGHT, double ftr_geom_match_weight=DEF_FTR_GEOM_MATCH_WEIGHT)
CDPL::Pharm::PharmacophoreFitScreeningScore
PharmacophoreFitScreeningScore.
Definition: PharmacophoreFitScreeningScore.hpp:47
ScreeningProcessor.hpp
Definition of the class CDPL::Pharm::ScreeningProcessor.
CDPL::Pharm::PharmacophoreFitScore
PharmacophoreFitScore.
Definition: PharmacophoreFitScore.hpp:51
CDPL::Pharm::ScreeningProcessor::SearchHit
Definition: Pharm/ScreeningProcessor.hpp:72
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Pharm::PharmacophoreFitScreeningScore::operator()
double operator()(const ScreeningProcessor::SearchHit &hit)
PharmacophoreFitScore.hpp
Definition of the class CDPL::Pharm::PharmacophoreFitScore.