| ApplyTransformsToAllAtoms(const ColumnVector &X) | CData | |
| Atoms (defined in CData) | CData | |
| CData() | CData | |
| centerF (defined in CData) | CData | |
| changingAtoms (defined in CData) | CData | |
| chargeF (defined in CData) | CData | |
| CheckAllRestraints() | CData | |
| cntChangeAtom (defined in CData) | CData | |
| contrEl (defined in CData) | CData | |
| Delete() | CData | |
| distribF (defined in CData) | CData | |
| EnergyFunction(int ndim, const ColumnVector &X, REAL &E, int &result) | CData | |
| ExportDataPDB(const ColumnVector &X, FILE *fout) | CData | |
| ExportDataPDB(const ColumnVector &X, char *name) | CData | |
| ExportDataXML(const ColumnVector &X, char *name) | CData | |
| GetFilenameEnergyGraph() | CData | [inline] |
| GetFilenamePDBall() | CData | [inline] |
| GetFilenamePDBfinal() | CData | [inline] |
| GetNumber(int id, int *idFrg, int *idLoc) | CData | |
| idF (defined in CData) | CData | |
| IncrementNumIterations(int a=1) (defined in CData) | CData | [inline] |
| InitComputation(int ndim, ColumnVector &x) | CData | |
| masterFragment (defined in CData) | CData | |
| nF (defined in CData) | CData | |
| numFragments (defined in CData) | CData | |
| numIterations (defined in CData) | CData | |
| numRestrains (defined in CData) | CData | |
| points (defined in CData) | CData | |
| Postpare() | CData | |
| Prepare() | CData | |
| PrintSelf() | CData | |
| Read(char *name) | CData | |
| restrains (defined in CData) | CData | |
| SetFilenameEnergyGraph(CSmallString &str) | CData | [inline] |
| SetFilenamePDBall(CSmallString &str) | CData | [inline] |
| SetFilenamePDBfinal(CSmallString &str) | CData | [inline] |
| SetNumIterations(int a) (defined in CData) | CData | [inline] |
| strFileEnergyGraph (defined in CData) | CData | |
| strFilePDBall (defined in CData) | CData | |
| strFilePDBfinal (defined in CData) | CData | |
| ~CData() | CData |
1.3.4