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Searched refs:crossLayout (Results 1 – 10 of 10) sorted by relevance

/dports/science/coordgenlibs/coordgenlibs-3.0.0/
H A DsketcherMinimizerAtom.h86 bool crossLayout; // atoms with 4 substituents displayed in a cross style variable
H A DCoordgenFragmentBuilder.cpp600 !atom->neighbors.at(0)->crossLayout || in neighborsAnglesAtCenter()
601 !atom->neighbors.at(1)->crossLayout) { in neighborsAnglesAtCenter()
610 } else if (atom->neighbors.size() == 4 && !atom->crossLayout) { in neighborsAnglesAtCenter()
H A DsketcherMinimizerAtom.cpp208 : crossLayout(false), fixed(false), constrained(false), rigid(false), in sketcherMinimizerAtom()
873 if (center->crossLayout) { in orderAtomPriorities()
H A DsketcherMinimizer.cpp318 at->crossLayout = true; in flagCrossAtoms()
323 if (at->crossLayout) { in flagCrossAtoms()
333 at->crossLayout = true; in flagCrossAtoms()
H A DCoordgenMinimizer.cpp572 if (at->crossLayout || m_evenAngles) { in addBendInteractionsOfMolecule()
/dports/science/openbabel/openbabel-3.1.1/external/coordgen-master/coordgen/
H A DsketcherMinimizerAtom.h86 bool crossLayout; // atoms with 4 substituents displayed in a cross style variable
H A DCoordgenFragmentBuilder.cpp595 !atom->neighbors.at(0)->crossLayout || in neighborsAnglesAtCenter()
596 !atom->neighbors.at(1)->crossLayout) { in neighborsAnglesAtCenter()
605 } else if (atom->neighbors.size() == 4 && !atom->crossLayout) { in neighborsAnglesAtCenter()
H A DsketcherMinimizerAtom.cpp206 : crossLayout(false), fixed(false), constrained(false), rigid(false), in sketcherMinimizerAtom()
870 if (center->crossLayout) { in orderAtomPriorities()
H A DsketcherMinimizer.cpp303 at->crossLayout = true; in flagCrossAtoms()
308 if (at->crossLayout) { in flagCrossAtoms()
318 at->crossLayout = true; in flagCrossAtoms()
H A DCoordgenMinimizer.cpp526 if (at->crossLayout || m_evenAngles) { in addBendInteractionsOfMolecule()