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Searched refs:d_confs (Results 1 – 4 of 4) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/
H A DROMol.h433 void clearConformers() { d_confs.clear(); } in clearConformers()
448 return rdcast<unsigned int>(d_confs.size()); in getNumConformers()
619 inline ConformerIterator beginConformers() { return d_confs.begin(); } in beginConformers()
621 inline ConformerIterator endConformers() { return d_confs.end(); } in endConformers()
624 return d_confs.begin(); in beginConformers()
627 inline ConstConformerIterator endConformers() const { return d_confs.end(); } in endConformers()
675 CONF_SPTR_LIST d_confs; variable
H A DROMol.cpp595 if (d_confs.size() == 0) { in getConformer()
600 return *(d_confs.front()); in getConformer()
616 if (d_confs.size() == 0) { in getConformer()
621 return *(d_confs.front()); in getConformer()
636 for (auto ci = d_confs.begin(); ci != d_confs.end(); ++ci) { in removeConformer()
638 d_confs.erase(ci); in removeConformer()
650 for (auto cptr : d_confs) { in addConformer()
658 d_confs.push_back(nConf); in addConformer()
H A DRWMol.h210 d_confs.clear(); in clear()
H A DRWMol.cpp265 for (auto conf : d_confs) { in removeAtom()