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

/dports/science/openbabel/openbabel-3.1.1/src/
H A Dring.cpp203 OBBitVec bondset; in visitRing() local
205 bondset.SetBitOn(bonds[i]); in visitRing()
222 mask = mask & bondset; in visitRing()
224 bool containsSmallerBondRing = (mask == bondset) ? true : false; in visitRing()
/dports/science/py-MDAnalysis/MDAnalysis-0.19.2/MDAnalysis/coordinates/
H A DPDB.py673 bondset = set(itertools.chain(*(a.bonds for a in self.obj.atoms)))
679 bonds = ((bond[0].index, bond[1].index) for bond in bondset if not bond.is_guessed)
681 bonds = ((bond[0].index, bond[1].index) for bond in bondset)
/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/
H A Dmaeffplugin.cpp1575 BondSet bondset; in fixup_m_bond() local
1579 bondset.insert(std::make_pair(b.from,b.to)); in fixup_m_bond()
1595 if (bondset.find(p) != bondset.end()) continue; in fixup_m_bond()
1596 bondset.insert(p); in fixup_m_bond()
/dports/science/jmol/jmol-14.32.7/src/org/jmol/script/
H A DT.java1156 public final static int bondset = misc | 46; // never used field in T