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Searched refs:GetMoleculeCount (Results 1 – 3 of 3) sorted by relevance

/dports/science/libghemical/libghemical-3.0.0/src/
H A Dmodel.h300 …i32s GetMoleculeCount(void) { return nmol; } ///< This will return nmol (see UpdateGroups() for … in GetMoleculeCount() function
H A Dintcrd.cpp66 …if (mdl->GetMoleculeCount() < 0) assertion_failed(__FILE__, __LINE__, "mdl->GetMoleculeCount() < 0… in intcrd()
H A Dtab_mm_default.cpp1090 for (i32s n1 = 0;n1 < mdl->GetMoleculeCount();n1++) in e_UpdateTypes()