Open Babel  3.0
OBConformerSearch Member List

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

GetAlphaSharing()OBConformerSearchinline
GetConformers(OBMol &mol)OBConformerSearch
GetCrossoverProbability()OBConformerSearchinline
GetNbNiches()OBConformerSearchinline
GetNicheMating()OBConformerSearchinline
GetNicheRadius()OBConformerSearchinline
GetRotorKeys() constOBConformerSearchinline
GetSigmaSharing()OBConformerSearchinline
OBConformerSearch()OBConformerSearch
PrintRotors(bool printrotors)OBConformerSearchinline
Search()OBConformerSearch
SetAlphaSharing(double value)OBConformerSearchinline
SetConvergence(int convergence)OBConformerSearchinline
SetCrossoverProbability(double value)OBConformerSearchinline
SetFilter(OBConformerFilter *filter)OBConformerSearchinline
SetFixedBonds(const OBBitVec &fixedBonds)OBConformerSearchinline
SetLocalOptRate(int value)OBConformerSearchinline
SetLocalOptRate()OBConformerSearchinline
SetLogStream(std::ostream *sptr)OBConformerSearchinline
SetMutability(int mutability)OBConformerSearchinline
SetNbNiches(int value)OBConformerSearchinline
SetNicheMating(double value)OBConformerSearchinline
SetNicheRadius(double value)OBConformerSearchinline
SetNumChildren(int numChildren)OBConformerSearchinline
SetNumConformers(int numConformers)OBConformerSearchinline
SetScore(OBConformerScore *score)OBConformerSearchinline
SetSharing(bool value=true)OBConformerSearchinline
SetSigmaSharing(double value)OBConformerSearchinline
Setup(const OBMol &mol, int numConformers=30, int numChildren=5, int mutability=5, int convergence=25)OBConformerSearch
~OBConformerSearch()OBConformerSearch
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