Searched refs:MOPacInternals (Results 1 – 8 of 8) sorted by relevance
38 class MOPacInternals {50 MOPacInternals(long count);54 MOPacInternals(MOPacInternals * copy);59 MOPacInternals(XMLElement * Parent);63 ~MOPacInternals(void);195 MOPacInternals * MOPacStyle;204 inline MOPacInternals * GetMOPacStyle(void) {return MOPacStyle;}; in GetMOPacStyle()
29 MOPacStyle = new MOPacInternals(copy->MOPacStyle); in Internals()37 MOPacStyle = new MOPacInternals(Num); in CreateMOPacInternals()40 MOPacInternals::MOPacInternals(long Num) { in MOPacInternals() function in MOPacInternals48 MOPacInternals::MOPacInternals(MOPacInternals * copy) { in MOPacInternals() function in MOPacInternals61 MOPacInternals::~MOPacInternals(void) { in ~MOPacInternals()81 void MOPacInternals::GuessInit(MoleculeData * MainData, long theAtom, bool keepOld) { in GuessInit()221 void MOPacInternals::CartesiansToInternals(MoleculeData * MainData) { in CartesiansToInternals()304 void MOPacInternals::InternalsToCartesians(MoleculeData * MainData, WinPrefs * Prefs, in InternalsToCartesians()412 void MOPacInternals::AppendAtom(MoleculeData * MainData) { in AppendAtom()441 void MOPacInternals::DeleteAtom(MoleculeData * MainData, long WhichAtom) { in DeleteAtom()[all …]
296 MOPacInternals * mInts = IntCoords->GetMOPacStyle(); in NewAtom()314 MOPacInternals * mInts = IntCoords->GetMOPacStyle(); in NewAtom()751 MOPacInternals * mInts = IntCoords->GetMOPacStyle(); in ParseZMatrix()909 MOPacInternals * mInts = IntCoords->GetMOPacStyle(); in ParseGAMESSUKZMatrix()915 mInts = new MOPacInternals(3*atmCount); in ParseGAMESSUKZMatrix()1043 MOPacInternals * mInts = IntCoords->GetMOPacStyle(); in ParseMOPACZMatrix()1647 MOPacInternals * lInternals = IntCoords->GetMOPacStyle(); in CreateInternalLLM()1760 MOPacInternals * mInts = IntCoords->GetMOPacStyle(); in DeleteAtom()
373 MOPacInternals * mInts = NULL; in FrameChanged()626 MOPacInternals * mInts = internals->GetMOPacStyle(); in OnCoordchoice1Selected()706 MOPacInternals * mInts = internals->GetMOPacStyle(); in OnCellChange()
57 friend class MOPacInternals; variable
928 void MOPacInternals::WriteXML(XMLElement * parent) const { in WriteXML()2194 MOPacStyle = new MOPacInternals(child); in ReadXML()2201 MOPacInternals::MOPacInternals(XMLElement * parent) { in MOPacInternals() function in MOPacInternals
4183 void MOPacInternals::WriteZMATToFile(BufferFile * File) { in WriteZMATToFile()4203 void MOPacInternals::WriteCoordinatesToFile(BufferFile * File, MoleculeData * MainData, WinPrefs * … in WriteCoordinatesToFile()4233 void MOPacInternals::WriteMPCZMatCoordinatesToFile(BufferFile * File, MoleculeData * MainData, WinP… in WriteMPCZMatCoordinatesToFile()
1630 MOPacInternals * mInts = MainData->IntCoords->GetMOPacStyle(); in OpenMOPACFile()5111 MOPacInternals * mInts = NULL; in ExportGAMESS()