OEResidueCategoryData
class OEResidueCategoryData
This class represents a container for a collection of residue name lists,
each list associated with a category in the
OEResidueDatabaseCategory namespace.
These lists define various types of components found in a
macromolecular complex. The main use of these lists is to identify
molecules that are not ligands, so that ligands may be recognized more easily.
The OEMolComplexCategorizer class makes use of a OEResidueCategoryData object. The following OEMolComplexCategorizer methods get or set an OEResidueCategoryData:
Constructors
OEResidueCategoryData() -> OEResidueCategoryData
OEResidueCategoryData(rhs: OEResidueCategoryData) -> OEResidueCategoryData
Constructor and copy constructor.
AddToDB
AddToDB(category: int, list: OEStringVector) -> bool
Add an entry to the list associated with the specified category.
Note
The overload that takes a std::vector parameter is only available in C++.
ClearDBCategory
ClearDBCategory(category: int) -> bool
Remove all entries in the list associated with the specified category.
RemoveFromDB
RemoveFromDB(category: int, list: OEStringVector) -> bool
Remove an entry from the list associated with the specified category.
Note
The overload that takes a std::vector parameter is only available in C++.
FoundInDB
FoundInDB(category: int, resName: str) -> bool
Is the specified residue name found in the list associated with the specified category.
AllInDB
AllInDB(category: int, resNames: OEStringVector) -> bool
Are all the specified residue names found in the list associated with the specified category.
GetEntries
GetEntries(category: int) -> Iterable[str]
Return an iterator of all the entries in the list associated with the specified category.
Size
Size(category: int) -> int
Return the size of the list associated with the specified category.