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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_MOLECULARGRAPHPROPERTYDEFAULT_HPP
30 #define CDPL_CHEM_MOLECULARGRAPHPROPERTYDEFAULT_HPP
48 namespace MolecularGraphPropertyDefault
69 #endif // CDPL_CHEM_MOLECULARGRAPHPROPERTYDEFAULT_HPP
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL_CHEM_API const unsigned int MOL2_MOLECULE_TYPE
CDPL_CHEM_API const std::string COMMENT
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL_CHEM_API const double MDL_ENERGY
std::shared_ptr< MatchConstraintList > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated MatchConstraintList instances.
Definition: MatchConstraintList.hpp:197
CDPL_CHEM_API const unsigned int MDL_CTAB_VERSION
CDPL_CHEM_API const std::string MDL_USER_INITIALS
CDPL_CHEM_API const bool MDL_CHIRAL_FLAG
CDPL_CHEM_API const long MDL_SCALING_FACTOR1
CDPL_CHEM_API const std::string NAME
CDPL_CHEM_API const double STOICHIOMETRIC_NUMBER
CDPL_CHEM_API const MatchConstraintList::SharedPointer MATCH_CONSTRAINTS
The namespace of the Chemical Data Processing Library.
CDPL_CHEM_API const std::string MDL_PROGRAM_NAME
CDPL_CHEM_API const unsigned int MOL2_CHARGE_TYPE
Definition of the class CDPL::Chem::MatchConstraintList.
CDPL_CHEM_API const double MDL_SCALING_FACTOR2
CDPL_CHEM_API const std::size_t MDL_DIMENSIONALITY