29 #ifndef CDPL_BIOMOL_ATOMPROPERTY_HPP
30 #define CDPL_BIOMOL_ATOMPROPERTY_HPP
50 namespace AtomProperty
Definition of the preprocessor macro CDPL_BIOMOL_API.
#define CDPL_BIOMOL_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Unique lookup key for control-parameter and property values.
Definition: LookupKey.hpp:54
CDPL_BIOMOL_API const Base::LookupKey B_FACTOR
Specifies the isotropic temperature (B) factor of the atom.
CDPL_BIOMOL_API const Base::LookupKey SERIAL_NUMBER
Specifies the serial number of the atom.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_INSERTION_CODE
Specifies the insertion code of the residue the atom belongs to.
CDPL_BIOMOL_API const Base::LookupKey ALT_LOCATION_ID
Specifies the alternate location identifier of the atom.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_ALT_ATOM_NAME
Specifies the alternative residue name of the atom.
CDPL_BIOMOL_API const Base::LookupKey OCCUPANCY
Specifies the occupancy of the atom.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_ATOM_NAME
Specifies the residue name of the atom (e.g. CA, CB).
CDPL_BIOMOL_API const Base::LookupKey HETERO_ATOM_FLAG
Specifies whether the atom is a heteroatom.
CDPL_BIOMOL_API const Base::LookupKey CHAIN_ID
Specifies the identifier of the chain the atom belongs to.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_LEAVING_ATOM_FLAG
Specifies whether the atom is a leaving atom in the parent residue.
CDPL_BIOMOL_API const Base::LookupKey MODEL_NUMBER
Specifies the number of the model the atom belongs to.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_CODE
Specifies the three-letter code of the residue the atom belongs to.
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_SEQUENCE_NUMBER
Specifies the sequence number of the residue the atom belongs to.
CDPL_BIOMOL_API const Base::LookupKey ENTITY_ID
Specifies the identifier of the entity the atom belongs to).
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_LINKING_ATOM_FLAG
Specifies whether the atom is a linking atom between residues.
The namespace of the Chemical Data Processing Library.