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

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/FMCS/
H A DDuplicatedSeedCache.h69 size_t MaxAtoms{0}; // max key in the cache for fast failed find
74 MaxAtoms = 0; in clear()
79 if (key.getNumAtoms() > MaxAtoms) in find()
88 if (key.getNumAtoms() > MaxAtoms) MaxAtoms = key.getNumAtoms();
/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DMoleculeData.h61 long MaxAtoms; ///< The maximum number of atoms in any frame variable
261 inline long GetMaximumAtomCount(void) const {return MaxAtoms;}; in GetMaximumAtomCount()
H A DMoleculeData.cpp41 MaxAtoms = 0; in MoleculeData()
87 if (NumAtoms > MaxAtoms) { //Need to extend the size of the zbuffer arrays in SetupFrameMemory()
94 RotCoords = new CPoint3D[MaxAtoms]; in SetupFrameMemory()
97 MaxAtoms = NumAtoms; in SetupFrameMemory()
226 if ((cFrame->NumAtoms > MaxAtoms)||(RotCoords==NULL)) { in ResetRotation()
232 MaxAtoms = cFrame->NumAtoms; in ResetRotation()
321 if (cFrame->AtomAllocation>MaxAtoms) { in AtomAdded()
325 MaxAtoms = cFrame->AtomAllocation; in AtomAdded()
H A DMolDisplayWin.cpp1201 if (!Dirty && (MainData->NumFrames == 1) && (MainData->MaxAtoms == 0)) { in menuFileOpen()
1962 if (tdatap->MaxAtoms > MainData->MaxAtoms) { in menuEditPaste()
1963 MainData->MaxAtoms = tdatap->MaxAtoms; in menuEditPaste()
/dports/lang/sketchy/sketchy-20070218/
H A Dsketchy.c102 static int MaxAtoms, MaxCells; /* Memory use gauge */ variable
711 if (MaxAtoms < PoolSize-k) MaxAtoms = PoolSize-k; in gc()
4274 MaxAtoms = 0; in init1()
5165 stats->nodes_max = MaxAtoms; in sk_gc()
5167 MaxAtoms = 0; in sk_gc()