Chemical Data Processing Library C++ API - Version 1.1.1
MolProp.hpp
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1 /*
2  * MolProp.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_MOLPROP_HPP
30 #define CDPL_MOLPROP_HPP
31 
32 #include "CDPL/MolProp/AtomProperty.hpp"
33 #include "CDPL/MolProp/BondProperty.hpp"
34 #include "CDPL/MolProp/AtomPropertyDefault.hpp"
35 #include "CDPL/MolProp/MassComposition.hpp"
36 #include "CDPL/MolProp/ElementHistogram.hpp"
37 #include "CDPL/MolProp/CoordinationGeometry.hpp"
38 #include "CDPL/MolProp/HBondDonorAtomType.hpp"
39 #include "CDPL/MolProp/HBondAcceptorAtomType.hpp"
40 #include "CDPL/MolProp/AtomFunctions.hpp"
41 #include "CDPL/MolProp/BondFunctions.hpp"
42 #include "CDPL/MolProp/AtomContainerFunctions.hpp"
43 #include "CDPL/MolProp/BondContainerFunctions.hpp"
44 #include "CDPL/MolProp/MolecularGraphFunctions.hpp"
45 #include "CDPL/MolProp/TPSACalculator.hpp"
46 #include "CDPL/MolProp/AtomHydrophobicityCalculator.hpp"
47 #include "CDPL/MolProp/LogSCalculator.hpp"
48 #include "CDPL/MolProp/XLogPCalculator.hpp"
49 #include "CDPL/MolProp/PEOESigmaChargeCalculator.hpp"
50 #include "CDPL/MolProp/MHMOPiChargeCalculator.hpp"
51 #include "CDPL/MolProp/HBondDonorAtomTyper.hpp"
52 #include "CDPL/MolProp/HBondAcceptorAtomTyper.hpp"
53 
54 #endif // CDPL_MOLPROP_HPP
BondFunctions.hpp
Declaration of functions that operate on Chem::Bond instances.
MolecularGraphFunctions.hpp
Declaration of functions that operate on Chem::MolecularGraph instances.
AtomHydrophobicityCalculator.hpp
Definition of the class CDPL::MolProp::AtomHydrophobicityCalculator.
CoordinationGeometry.hpp
Definition of constants in namespace CDPL::MolProp::CoordinationGeometry.
ElementHistogram.hpp
Definition of the type CDPL::MolProp::ElementHistogram.
BondContainerFunctions.hpp
Declaration of functions that operate on Chem::BondContainer instances.
HBondDonorAtomType.hpp
Definition of constants in namespace CDPL::MolProp::HBondDonorAtomType.
MHMOPiChargeCalculator.hpp
Definition of the class CDPL::MolProp::MHMOPiChargeCalculator.
HBondAcceptorAtomTyper.hpp
Definition of the class CDPL::MolProp::HBondAcceptorAtomTyper.
TPSACalculator.hpp
Definition of the class CDPL::MolProp::TPSACalculator.
BondProperty.hpp
Definition of constants in namespace CDPL::MolProp::BondProperty.
MassComposition.hpp
Definition of the type CDPL::MolProp::MassComposition.
AtomProperty.hpp
Definition of constants in namespace CDPL::MolProp::AtomProperty.
AtomFunctions.hpp
Declaration of functions that operate on Chem::Atom instances.
LogSCalculator.hpp
Definition of the class CDPL::MolProp::LogSCalculator.
AtomContainerFunctions.hpp
Declaration of functions that operate on Chem::AtomContainer instances.
AtomPropertyDefault.hpp
Definition of constants in namespace CDPL::MolProp::AtomPropertyDefault.
HBondDonorAtomTyper.hpp
Definition of the class CDPL::MolProp::HBondDonorAtomTyper.
PEOESigmaChargeCalculator.hpp
Definition of the class CDPL::MolProp::PEOESigmaChargeCalculator.
XLogPCalculator.hpp
Definition of the class CDPL::MolProp::XLogPCalculator.
HBondAcceptorAtomType.hpp
Definition of constants in namespace CDPL::MolProp::HBondAcceptorAtomType.
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