OEAltLocation
class OEAltLocation
This class represents OEAltLocation, an abstraction of a particular alternate location of an OEAltGroup in the molecule used to construct an OEAltLocationFactory.
The following OEAltLocationFactory methods return an OEAltLocation or the corresponding iterator:
The following OEAltGroup method returns an OEAltLocation iterator:
The following OEAltLocationFactory methods take an OEAltLocation:
Constructors
OEAltLocation() -> OEAltLocation
OEAltLocation(grpID: int, locID: int, numLocs: int) -> OEAltLocation
OEAltLocation(loc: OEAltLocation) -> OEAltLocation
Default, copy and initialization constructors.
If no arguments are supplied, the OEAltLocation is uninitialized
and will return false when operator bool is called.
If an OEAltLocation is supplied, the constructed object is identical to the input.
If a group ID, a location ID and the total number of locations in the group is supplied, an object is constructed that represents the specified location in the specified group.
operator bool
IsValid() -> bool
Returns true if the object refers to an actual location.
Returns false if the location identifier is out of range.
GetGroupID
GetGroupID() -> int
Returns an integer that identifies the OEAltGroup that contains this location. A negative number indicates the object does not refer to an actual alternate location group.
GetLocationCount
GetLocationCount() -> int
Returns the total number of alternate locations in the OEAltGroup that contains this location.
GetLocationID
GetLocationID() -> int
Returns an integer that identifies this location. A negative number indicates the object does not refer to an actual alternate location.
SetLocationID
SetLocationID(newLoc: int) -> OEAltLocation
Changes the location identifier for this location. If the identifier is out of range,
operator bool will return false.