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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::AtomProperty. 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::AtomProperty | |
| Provides keys for built-in Chem::Atom properties. | |
Variables | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::NAME |
| Specifies the name of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::SYMBOL |
| Specifies the element symbol of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::TYPE |
| Specifies the atom type (see namespace Chem::AtomType). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::FORMAL_CHARGE |
| Specifies the formal charge of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::ISOTOPE |
| Specifies the isotopic mass number of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::RADICAL_TYPE |
| Specifies the radical type of the atom (see namespace Chem::RadicalType). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::HYBRIDIZATION |
| Specifies the hybridization state of the atom (see namespace Chem::HybridizationState). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::RING_FLAG |
| Specifies whether the atom is a member of any ring. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::AROMATICITY_FLAG |
| Specifies whether the atom is a member of an aromatic ring system. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::UNPAIRED_ELECTRON_COUNT |
| Specifies the number of unpaired electrons of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::IMPLICIT_HYDROGEN_COUNT |
| Specifies the number of implicit hydrogens attached to the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::COORDINATES_2D |
| Specifies the 2D coordinates of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::COORDINATES_3D_ARRAY |
| Specifies an array with the 3D coordinates of the atom for one or more molecular conformations. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MORGAN_NUMBER |
| Specifies the Morgan extended connectivity value of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::CANONICAL_NUMBER |
| Specifies the canonical numbering of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::CIP_PRIORITY |
| Specifies the CIP priority of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::SYMMETRY_CLASS |
| Specifies the topological symmetry class of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::STEREO_DESCRIPTOR |
| Specifies the stereochemical descriptor of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::STEREO_CENTER_FLAG |
| Specifies whether the atom is a stereogenic center. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::CIP_CONFIGURATION |
| Specifies the CIP stereochemical configuration label of the atom (see namespace Chem::CIPDescriptor). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MDL_PARITY |
| Specifies the MDL stereo parity of the atom (see namespace Chem::MDLParity). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MDL_DB_STEREO_CARE_FLAG |
| Specifies the value of the MDL stereo care flag of the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::SYBYL_TYPE |
| Specifies the SYBYL atom type (see namespace Chem::SybylAtomType). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MOL2_CHARGE |
| Specifies the atomic partial charge as read from or written to a Sybyl MOL2 file. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MOL2_NAME |
| Specifies the atom name as read from or written to a Sybyl MOL2 file. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MOL2_SUBSTRUCTURE_ID |
| Specifies the ID of the substructure the atom belongs to (as read from or written to a Sybyl MOL2 file). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MOL2_SUBSTRUCTURE_NAME |
| Specifies the name of the substructure the atom belongs to (as read from or written to a Sybyl MOL2 file). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MOL2_SUBSTRUCTURE_SUBTYPE |
| Specifies the subtype of the substructure the atom belongs to (as read from or written to a Sybyl MOL2 file). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MOL2_SUBSTRUCTURE_CHAIN |
| Specifies the chain identifier of the substructure the atom belongs to (as read from or written to a Sybyl MOL2 file). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::REACTION_CENTER_STATUS |
| Specifies the reaction center status of the atom (see namespace Chem::ReactionCenterStatus). More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::ATOM_MAPPING_ID |
| Specifies the atom-atom mapping ID used to relate reactant atoms to product atoms in a reaction. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MATCH_CONSTRAINTS |
| Specifies the substructure matching constraints associated with the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MATCH_EXPRESSION |
| Specifies the substructure matching expression associated with the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::MATCH_EXPRESSION_STRING |
| Specifies a string representation of the substructure matching expression associated with the atom. More... | |
| CDPL_CHEM_API const Base::LookupKey | CDPL::Chem::AtomProperty::COMPONENT_GROUP_ID |
| Specifies the ID of the component group the atom belongs to. More... | |
Definition of constants in namespace CDPL::Chem::AtomProperty.
1.9.1