cdpl_api_doc/c%2B%2B_api_doc/MolProp_8hpp_source.html

 /*

  * MolProp.hpp

  *

  * This file is part of the Chemical Data Processing Toolkit

  *

  * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>

  *

  * This library is free software; you can redistribute it and/or

  * modify it under the terms of the GNU Lesser General Public

  * License as published by the Free Software Foundation; either

  * version 2 of the License, or (at your option) any later version.

  *

  * This library is distributed in the hope that it will be useful,

  * but WITHOUT ANY WARRANTY; without even the implied warranty of

  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU

  * Lesser General Public License for more details.

  *

  * You should have received a copy of the GNU Lesser General Public License

  * along with this library; see the file COPYING. If not, write to

  * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,

  * Boston, MA 02111-1307, USA.

  */


 #ifndef CDPL_MOLPROP_HPP

 #define CDPL_MOLPROP_HPP


 #include "CDPL/MolProp/AtomProperty.hpp"

 #include "CDPL/MolProp/BondProperty.hpp"

 #include "CDPL/MolProp/AtomPropertyDefault.hpp"

 #include "CDPL/MolProp/MassComposition.hpp"

 #include "CDPL/MolProp/ElementHistogram.hpp"

 #include "CDPL/MolProp/CoordinationGeometry.hpp"

 #include "CDPL/MolProp/HBondDonorAtomType.hpp"

 #include "CDPL/MolProp/HBondAcceptorAtomType.hpp"

 #include "CDPL/MolProp/AtomFunctions.hpp"

 #include "CDPL/MolProp/BondFunctions.hpp"

 #include "CDPL/MolProp/AtomContainerFunctions.hpp"

 #include "CDPL/MolProp/BondContainerFunctions.hpp"

 #include "CDPL/MolProp/MolecularGraphFunctions.hpp"

 #include "CDPL/MolProp/TPSACalculator.hpp"

 #include "CDPL/MolProp/AtomHydrophobicityCalculator.hpp"

 #include "CDPL/MolProp/LogSCalculator.hpp"

 #include "CDPL/MolProp/XLogPCalculator.hpp"

 #include "CDPL/MolProp/PEOESigmaChargeCalculator.hpp"

 #include "CDPL/MolProp/MHMOPiChargeCalculator.hpp"

 #include "CDPL/MolProp/HBondDonorAtomTyper.hpp"

 #include "CDPL/MolProp/HBondAcceptorAtomTyper.hpp"


 #endif // CDPL_MOLPROP_HPP

AtomHydrophobicityCalculator.hpp
Definition of the class CDPL::MolProp::AtomHydrophobicityCalculator.

BondContainerFunctions.hpp
Declaration of functions that operate on Chem::BondContainer instances.

CoordinationGeometry.hpp
Definition of constants in namespace CDPL::MolProp::CoordinationGeometry.

ElementHistogram.hpp
Definition of the type CDPL::MolProp::ElementHistogram.

HBondAcceptorAtomType.hpp
Definition of constants in namespace CDPL::MolProp::HBondAcceptorAtomType.

HBondAcceptorAtomTyper.hpp
Definition of the class CDPL::MolProp::HBondAcceptorAtomTyper.

HBondDonorAtomType.hpp
Definition of constants in namespace CDPL::MolProp::HBondDonorAtomType.

HBondDonorAtomTyper.hpp
Definition of the class CDPL::MolProp::HBondDonorAtomTyper.

LogSCalculator.hpp
Definition of the class CDPL::MolProp::LogSCalculator.

MHMOPiChargeCalculator.hpp
Definition of the class CDPL::MolProp::MHMOPiChargeCalculator.

MassComposition.hpp
Definition of the type CDPL::MolProp::MassComposition.

AtomContainerFunctions.hpp
Declaration of functions that operate on Chem::AtomContainer instances.

AtomFunctions.hpp
Declaration of functions that operate on Chem::Atom instances.

AtomPropertyDefault.hpp
Definition of constants in namespace CDPL::MolProp::AtomPropertyDefault.

AtomProperty.hpp
Definition of constants in namespace CDPL::MolProp::AtomProperty.

BondFunctions.hpp
Declaration of functions that operate on Chem::Bond instances.

BondProperty.hpp
Definition of constants in namespace CDPL::MolProp::BondProperty.

MolecularGraphFunctions.hpp
Declaration of functions that operate on Chem::MolecularGraph instances.

PEOESigmaChargeCalculator.hpp
Definition of the class CDPL::MolProp::PEOESigmaChargeCalculator.

TPSACalculator.hpp
Definition of the class CDPL::MolProp::TPSACalculator.

XLogPCalculator.hpp
Definition of the class CDPL::MolProp::XLogPCalculator.