Classes | |
class | Dictionary |
class | PDBFileParser |
class | PDBSystem |
class | TypeSystem |
A class for representing a self-consistent set of molecular types. More... | |
class | TypeSystemProxy |
A class for representing TypeSystem objects by reference. More... | |
Namespaces | |
namespace | LOGGING |
Typedefs | |
typedef TypeSystemProxy< TypeSystem< BTK::ELEMENTS::DefaultElementDictionary, BTK::ATOMS::DefaultAtomDictionary, BTK::MOLECULES::DefaultMonomerDictionary, BTK::MOLECULES::DefaultStructureDictionary > > | DefaultTypeSystem |
The default TypeSystem class for the BTK. |
The default TypeSystem class for the BTK.
This class provides dynamic atom, monomer and structure typing, for use when the user does not specify a custom TypeSystem for their own code.
Because element types are constant, the DefaultTypeSystem uses the DefaultElementDictionary and ElementType objects for element type mapping. Atom, monomer and structure types are dynamic, however, and must be assigned by the user, or by the parser used to load a structure from a file (the PDBFileParser does this automatically).
In summary, the default dictionary and ID types are:
For efficiency, the DefaultTypeSystem is always stored by proxy, using the TypeSystemProxy class. This is generally what you want. However, if you need to make a deep copy of a DefaultTypeSystem, see the TypeSystemProxy::clone() method.