Home
last modified time | relevance | path

Searched refs:MOPacInternals (Results 1 – 8 of 8) sorted by relevance

/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DInternals.h38 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()
H A DInternals.cpp29 MOPacStyle = new MOPacInternals(copy->MOPacStyle); in Internals()
37 MOPacStyle = new MOPacInternals(Num); in CreateMOPacInternals()
40 MOPacInternals::MOPacInternals(long Num) { in MOPacInternals() function in MOPacInternals
48 MOPacInternals::MOPacInternals(MOPacInternals * copy) { in MOPacInternals() function in MOPacInternals
61 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 …]
H A DMoleculeData.cpp296 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()
H A Dcoordinateswindow.cpp373 MOPacInternals * mInts = NULL; in FrameChanged()
626 MOPacInternals * mInts = internals->GetMOPacStyle(); in OnCoordchoice1Selected()
706 MOPacInternals * mInts = internals->GetMOPacStyle(); in OnCellChange()
H A DFrame.h57 friend class MOPacInternals; variable
H A DCML.cpp928 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
H A DInputData.cpp4183 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()
H A DFiles.cpp1630 MOPacInternals * mInts = MainData->IntCoords->GetMOPacStyle(); in OpenMOPACFile()
5111 MOPacInternals * mInts = NULL; in ExportGAMESS()