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factor OpenBabel::OBFFConstraint
False rand.cpp
FastSearch OpenBabel
FastSearchIndexer OpenBabel
FastSearchIndexer
OpenBabel::FastSearchIndexer::FastSearchIndexer(std::string &datafilename, std::ostream *os, std::string &fpid, int FptBits=0, int nmols=0) OpenBabel::FastSearchIndexer::FastSearchIndexer(FptIndex *pindex, std::ostream *os, int nmols=0)
FastSingleMatch OpenBabel::OBSmartsMatcher
FatalAllocationError OpenBabel
FatalMemoryError OpenBabel
FILE_SEP_CHAR tokenst.h
fileformatInput OpenBabel
FillAngleArray
OpenBabel::OBAngleData::FillAngleArray(int **angles, unsigned int &size) OpenBabel::OBAngleData::FillAngleArray(std::vector< std::vector< unsigned int > > &angles)
FillChargeVectors OpenBabel::OBChargeModel
FillOrth OpenBabel::matrix3x3
FillTorsionArray OpenBabel::OBTorsionData
FillUnitCell OpenBabel::OBUnitCell
FilterCompare OpenBabel::OBDescriptor
FilteringInputStreambuf OpenBabel::FilteringInputStreambuf
FilteringInputStreambuf OpenBabel
finalize OpenBabel::LineEndingExtractor
Find
OpenBabel::FastSearch::Find() OpenBabel::SpaceGroup::Find()
findAlternateSinglets OpenBabel
FindAngles OpenBabel::OBMol
FindAutomorphisms
OpenBabel::FindAutomorphisms(OBMol *mol, std::vector< OBIsomorphismMapper::Mapping > &aut, const std::vector< unsigned int > &symmetry_classes, const OBBitVec &mask=OBBitVec(), std::size_t maxMemory=3000000) OpenBabel::FindAutomorphisms(OBMol *mol, std::vector< OBIsomorphismMapper::Mapping > &aut, const OBBitVec &mask=OBBitVec(), std::size_t maxMemory=3000000) OpenBabel::FindAutomorphisms(OBIsomorphismMapper::Functor &functor, OBMol *mol, const std::vector< unsigned int > &symmetry_classes, const OBBitVec &mask=OBBitVec()) OpenBabel::FindAutomorphisms(OBMol *mol, Automorphisms &maps, const OBBitVec &mask, std::size_t maxMemory) OpenBabel::FindAutomorphisms(OBMol *mol, Automorphisms &maps, const std::vector< unsigned int > &symClasses, const OBBitVec &mask, std::size_t maxMemory)
findCenterAndNormal OpenBabel::OBRing
FindChildren
OpenBabel::OBMol::FindChildren(std::vector< int > &children, int bgnIdx, int endIdx) OpenBabel::OBMol::FindChildren(std::vector< OBAtom * > &children, OBAtom *bgn, OBAtom *end)
FindChiralCenters OpenBabel::OBMol
findEigenvectorsIfSymmetric OpenBabel::matrix3x3
findFiles
DLHandler::findFiles(std::vector< std::string > &file_list, const std::string &pattern, const std::string &path) DLHandler::findFiles(std::vector< std::string > &file_list, const std::string &filename)
FindFingerprint OpenBabel::OBFingerprint
FindForceField
OpenBabel::OBForceField::FindForceField(const std::string &ID) OpenBabel::OBForceField::FindForceField(const char *ID)
FindFormat
OpenBabel::OBConversion::FindFormat(const char *ID) OpenBabel::OBConversion::FindFormat(const std::string ID)
FindLargestFragment OpenBabel::OBMol
FindLSSR OpenBabel::OBMol
FindMatch OpenBabel::FastSearch
findMetalloceneBonds OpenBabel
FindRingAtomsAndBonds OpenBabel::OBMol
FindRings OpenBabel
FindRotors OpenBabel::OBRotorList
FindSimilar
OpenBabel::FastSearch::FindSimilar(OBBase *pOb, std::multimap< double, unsigned int > &SeekposMap, double MinTani, double MaxTani=1.1) OpenBabel::FastSearch::FindSimilar(OBBase *pOb, std::multimap< double, unsigned int > &SeekposMap, int nCandidates=0)
FindSmallestRing OpenBabel::OBBond
FindSSSR OpenBabel::OBMol
FindStereogenicUnits
OpenBabel::FindStereogenicUnits(OBMol *mol, const std::vector< unsigned int > &symClasses) OpenBabel::FindStereogenicUnits(OBMol *mol, const std::vector< unsigned int > &symClasses, const Automorphisms &automorphisms)
FindTorsions OpenBabel::OBMol
fingerprint.cpp
fingerprint.h
first
OpenBabel::triple::first() OpenBabel::quad::first()
first_type
OpenBabel::triple::first_type() OpenBabel::quad::first_type()
FirstBit OpenBabel::OBBitVec
FirstLine OpenBabel::OBPlugin
Flag OpenBabel::OBBond
Flags
OpenBabel::OBFingerprint::Flags() OpenBabel::OBFormat::Flags()
Fold
OpenBabel::OBBitVec::Fold() OpenBabel::OBFingerprint::Fold()
fontSize OpenBabel::OBFontMetrics
FOR OpenBabel::OBResidueIndex
FOR_ANGLES_OF_MOL obiter.h
FOR_ATOMS_OF_MOL obiter.h
FOR_ATOMS_OF_RESIDUE obiter.h
FOR_BFS_OF_MOL obiter.h
FOR_BONDBFS_OF_MOL obiter.h
FOR_BONDS_OF_ATOM obiter.h
FOR_BONDS_OF_MOL obiter.h
FOR_DFS_OF_MOL obiter.h
FOR_NBORS_OF_ATOM obiter.h
FOR_PAIRS_OF_MOL obiter.h
FOR_RESIDUES_OF_MOL obiter.h
FOR_RINGS_OF_MOL obiter.h
FOR_TORSIONS_OF_MOL obiter.h
force_a OpenBabel::OBFFCalculation2
force_b OpenBabel::OBFFCalculation2
force_c OpenBabel::OBFFCalculation3
force_d OpenBabel::OBFFCalculation4
forcefield.cpp
forcefield.h
ForceImplH OpenBabel::OBAtom
ForceNoH OpenBabel::OBAtom
format.cpp
format.h
FormatFilesLoaded OpenBabel::OBConversion
FormatFromExt
OpenBabel::OBConversion::FormatFromExt(const char *filename) OpenBabel::OBConversion::FormatFromExt(const std::string filename)
FormatFromMIME
OpenBabel::OBFormat::FormatFromMIME() OpenBabel::OBConversion::FormatFromMIME()
Formatpos OpenBabel
fourth OpenBabel::quad
fourth_type OpenBabel::quad
FourThirdsPI obutil.cpp
fpid OpenBabel::FptIndexHeader
FPT_NOINFO OpenBabel::OBFingerprint
FPT_UNIQUEBITS OpenBabel::OBFingerprint
fptdata OpenBabel::FptIndex
FptFlag OpenBabel::OBFingerprint
FptIndex OpenBabel
FptIndexHeader OpenBabel
FractionalToCartesian OpenBabel::OBUnitCell
Fragments OpenBabel::OBSmartsMatcher
fragmentSearch
OpenBabel::fragmentSearch(OBMol *query, OBMol *structure) OpenBabel::fragmentSearch(const std::vector< int > aPositionQuery, const std::vector< int > iA1Query, const std::vector< int > iA2Query, const std::vector< int > bondTypesQuery, const std::vector< int > aPositionStructure, const std::vector< int > iA1Structure, const std::vector< int > iA2Structure, const std::vector< int > bondTypesStructure, int nAtomsQuery, int nBondsQuery, int nAtomsStructure, int nBondsStructure)
FreeAtomExpr OpenBabel
FreeBondExpr OpenBabel
FreePattern OpenBabel
from OpenBabel::OBTetrahedralStereo::Config
FromString OpenBabel::OBBitVec
FromVecInt OpenBabel::OBBitVec
fsastart OpenBabel
fsbstart OpenBabel
FullConvert OpenBabel::OBConversion
Functor OpenBabel::OBIsomorphismMapper
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