Open Babel  3.0
OBRotamerList Member List

This is the complete list of members for OBRotamerList, including all inherited members.

_attrOBGenericDataprotected
_sourceOBGenericDataprotected
_typeOBGenericDataprotected
AddRotamer(double *)OBRotamerList
AddRotamer(int *key)OBRotamerList
AddRotamer(std::vector< int > key)OBRotamerList
AddRotamer(unsigned char *key)OBRotamerList
AddRotamers(unsigned char *arr, int nconf)OBRotamerList
BeginRotamer()OBRotamerListinline
Clone(OBBase *parent) constOBRotamerListvirtual
CreateConformerList(OBMol &mol)OBRotamerList
EndRotamer()OBRotamerListinline
ExpandConformerList(OBMol &mol, std::vector< double *> &confs)OBRotamerList
GetAttribute() constOBGenericDatainlinevirtual
GetBaseCoordinateSet(unsigned int i) constOBRotamerListinline
GetDataType() constOBGenericDatainline
GetOrigin() constOBGenericDatainlinevirtual
GetReferenceArray(unsigned char *) constOBRotamerList
GetValue() constOBGenericDatainlinevirtual
NumAtoms() constOBRotamerListinline
NumBaseCoordinateSets() constOBRotamerListinline
NumRotamers() constOBRotamerListinline
NumRotors() constOBRotamerListinline
OBGenericData(const std::string attr="undefined", const unsigned int type=OBGenericDataType::UndefinedData, const DataOrigin source=any)OBGenericData
OBRotamerList()OBRotamerListinline
SetAttribute(const std::string &v)OBGenericDatainline
SetBaseCoordinateSets(OBMol &mol)OBRotamerList
SetBaseCoordinateSets(std::vector< double *> bc, unsigned int N)OBRotamerList
SetCurrentCoordinates(OBMol &mol, std::vector< int > arr)OBRotamerList
SetOrigin(const DataOrigin s)OBGenericDatainline
Setup(OBMol &, OBRotorList &)OBRotamerList
Setup(OBMol &mol, unsigned char *ref, int nrotors)OBRotamerList
~OBGenericData()OBGenericDatainlinevirtual
~OBRotamerList()OBRotamerList