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Chemical Data Processing Library C++ API - Version 1.4.0
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Chemical Data Processing Library C++ API - Version 1.4.0
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Definition of constants in namespace CDPL::Chem::ReactionProperty. More...
#include "CDPL/Chem/APIPrefix.hpp"Go to the source code of this file.
Namespaces | |
| CDPL | |
| The namespace of the Chemical Data Processing Library. | |
| CDPL::Base | |
| Contains core framework classes and functions. | |
| CDPL::Chem | |
| Contains classes and functions related to chemistry. | |
| CDPL::Chem::ReactionProperty | |
| Provides keys for built-in Chem::Reaction properties. | |
Variables | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::NAME |
| Specifies the name of the reaction. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::COMMENT |
| Specifies a comment associated with the reaction. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::TIMESTAMP |
| Specifies the timestamp of the reaction (typically the deposition or creation time). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::MATCH_EXPRESSION |
| Specifies the match expression used for matching the reaction against query reactions. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::MATCH_CONSTRAINTS |
| Specifies the matching constraints of the reaction. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::COMPONENT_GROUPS |
| Specifies the per-component groupings of the reaction's reactants and products. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::ATOM_MAPPING |
| Specifies the atom-to-atom mapping between the reactant and product molecules. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::REACTION_DATA |
| Specifies the (key, value) data block associated with the reaction (typically read from the data section of an MDL RD-File). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::MDL_USER_INITIALS |
| Specifies the user initials field read from the MDL rxn file. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::MDL_PROGRAM_NAME |
| Specifies the program name field read from the MDL rxn file. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::MDL_REGISTRY_NUMBER |
| Specifies the MDL registry number of the reaction. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::MDL_MOLECULE_RECORD |
| Specifies the embedded MDL molecule record associated with the reaction (the molecule following the reaction in an MDL RD-File). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::MDL_INTERNAL_REGISTRY_NUMBER |
| Specifies the MDL internal registry number string of the reaction. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::MDL_EXTERNAL_REGISTRY_NUMBER |
| Specifies the MDL external registry number string of the reaction. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::ReactionProperty::MDL_RXN_FILE_VERSION |
| Specifies the version of the MDL rxn file the reaction was read from. More... | |
Definition of constants in namespace CDPL::Chem::ReactionProperty.
1.9.1