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:

GetLocation

GetCurrentLocations

The following OEAltGroup method returns an OEAltLocation iterator:

GetLocations

The following OEAltLocationFactory methods take an OEAltLocation:

GetLocationCodes

SetAlt

MakeAltMol

GetGroup

Constructors¶

OEAltLocation()
OEAltLocation(const OEAltLocation &loc)
OEAltLocation(int grpID, int locID, unsigned int numLocs)

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=¶

OEAltLocation &operator=(const OEAltLocation &loc)

Assignment – sets this location to be identical to the input.

operator bool¶

operator bool() const

Returns true if the object refers to an actual location. Returns false if the location identifier is out of range.

GetGroupID¶

int GetGroupID() const

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¶

unsigned int GetLocationCount() const

Returns the total number of alternate locations in the OEAltGroup that contains this location.

GetLocationID¶

int GetLocationID() const

Returns an integer that identifies this location. A negative number indicates the object does not refer to an actual alternate location.

SetLocationID¶

OEAltLocation &SetLocationID(int newLoc)

Changes the location identifier for this location. If the identifier is out of range, operator bool will return false.