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Searched refs:thirdAtom (Results 1 – 5 of 5) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/external/coordgen-master/coordgen/
H A DCoordgenMinimizer.cpp340 for (auto thirdAtom : secondAtom->neighbors) { in getFourConsecutiveAtomsThatMatchSequence() local
341 if (thirdSet.find(thirdAtom) == thirdSet.end()) { in getFourConsecutiveAtomsThatMatchSequence()
344 for (auto fourthAtom : thirdAtom->neighbors) { in getFourConsecutiveAtomsThatMatchSequence()
351 fourMatchingAtoms.at(2) = thirdAtom; in getFourConsecutiveAtomsThatMatchSequence()
/dports/science/coordgenlibs/coordgenlibs-3.0.0/
H A DCoordgenMinimizer.cpp386 for (auto thirdAtom : secondAtom->neighbors) { in getFourConsecutiveAtomsThatMatchSequence() local
387 if (thirdSet.find(thirdAtom) == thirdSet.end()) { in getFourConsecutiveAtomsThatMatchSequence()
390 for (auto fourthAtom : thirdAtom->neighbors) { in getFourConsecutiveAtomsThatMatchSequence()
397 fourMatchingAtoms.at(2) = thirdAtom; in getFourConsecutiveAtomsThatMatchSequence()
/dports/biology/ugene/ugene-40.1/src/plugins_3rdparty/ball/src/include/BALL/STRUCTURE/
H A DreducedSurface.h614 Index thirdAtom(RSVertex* vertex1, RSVertex* vertex2,
/dports/science/cdk/cdk-cdk-2.3/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/
H A DXLogPDescriptor.java1420 IAtom thirdAtom = (IAtom) third.get(c); in getIfCarbonIsHydrophobic() local
1421 … if (thirdAtom.getSymbol().equals("C") || thirdAtom.getSymbol().equals("H")) { in getIfCarbonIsHydrophobic()
/dports/biology/ugene/ugene-40.1/src/plugins_3rdparty/ball/src/source/STRUCTURE/
H A DreducedSurface.cpp804 atom3 = thirdAtom(vertex1,vertex2,start_face,probe,phi); in treatEdge()
1098 Index RSComputer::thirdAtom(RSVertex* vertex1, RSVertex* vertex2, in thirdAtom() function in BALL::RSComputer