_attr | OBGenericData | [protected] |
_source | OBGenericData | [protected] |
_type | OBGenericData | [protected] |
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() | OBRotamerList | [inline] |
Clone(OBBase *parent) const | OBRotamerList | [virtual] |
CreateConformerList(OBMol &mol) | OBRotamerList | |
EndRotamer() | OBRotamerList | [inline] |
ExpandConformerList(OBMol &mol, std::vector< double * > &confs) | OBRotamerList | |
GetAttribute() const | OBGenericData | [inline, virtual] |
GetBaseCoordinateSet(unsigned int i) const | OBRotamerList | [inline] |
GetDataType() const | OBGenericData | [inline] |
GetOrigin() const | OBGenericData | [inline, virtual] |
GetReferenceArray(unsigned char *) const | OBRotamerList | |
GetValue() const | OBGenericData | [inline, virtual] |
NumAtoms() const | OBRotamerList | [inline] |
NumBaseCoordinateSets() const | OBRotamerList | [inline] |
NumRotamers() const | OBRotamerList | [inline] |
NumRotors() const | OBRotamerList | [inline] |
OBGenericData(const std::string attr="undefined", const unsigned int type=OBGenericDataType::UndefinedData, const DataOrigin source=any) | OBGenericData | |
OBRotamerList() | OBRotamerList | [inline] |
SetAttribute(const std::string &v) | OBGenericData | [inline] |
SetBaseCoordinateSets(OBMol &mol) | OBRotamerList | [inline] |
SetBaseCoordinateSets(std::vector< double * > bc, unsigned int N) | OBRotamerList | |
SetOrigin(const DataOrigin s) | OBGenericData | [inline] |
Setup(OBMol &, OBRotorList &) | OBRotamerList | |
Setup(OBMol &mol, unsigned char *ref, int nrotors) | OBRotamerList | |
~OBGenericData() | OBGenericData | [inline, virtual] |
~OBRotamerList() | OBRotamerList | |