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Searched refs:m_isClashing (Results 1 – 6 of 6) sorted by relevance

/dports/science/coordgenlibs/coordgenlibs-3.0.0/
H A DsketcherMinimizerAtom.h136 bool m_isClashing, m_isWaterMap; variable
H A DsketcherMinimizer.cpp1473 if (res->m_isWaterMap && res->m_isClashing && res->coordinatesSet && in placeSSE()
1495 if (res->coordinatesSet || (res->m_isWaterMap && res->m_isClashing) || in markSolution()
3114 if (!r->m_isClashing) { in findClosestAtomToResidues()
3115 r->m_isClashing = (squareD < RESIDUE_CLASH_DISTANCE_SQUARED); in findClosestAtomToResidues()
H A DsketcherMinimizerAtom.cpp221 m_isClashing = false; in sketcherMinimizerAtom()
/dports/science/openbabel/openbabel-3.1.1/external/coordgen-master/coordgen/
H A DsketcherMinimizerAtom.h136 bool m_isClashing, m_isWaterMap; variable
H A DsketcherMinimizer.cpp1425 if (res->m_isWaterMap && res->m_isClashing && res->coordinatesSet && in placeSSE()
1447 if (res->coordinatesSet || (res->m_isWaterMap && res->m_isClashing) || in markSolution()
3068 if (!r->m_isClashing) { in findClosestAtomToResidues()
3069 r->m_isClashing = (squareD < RESIDUE_CLASH_DISTANCE_SQUARED); in findClosestAtomToResidues()
H A DsketcherMinimizerAtom.cpp219 m_isClashing = false; in sketcherMinimizerAtom()