delphi_cb
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This is the complete list of members for CSite, including all inherited members.
bExistRadiiInfo | CIO | protected |
bOnlyMolecule | CIO | |
checkFileFormat(const string &strFile) | CIO | protected |
CIO() | CIO | inline |
CIO(delphi_real fDielecIn, delphi_real fEPKTIn) | CIO | inline |
CSite(shared_ptr< IDataContainer > pdc, shared_ptr< CTimer > pt) (defined in CSite) | CSite | inline |
fDielec | CIO | protected |
fEPKT | CIO | protected |
FindRecord(const string &strAtom, const string &strResidue, const string &strResidueNum, const string &strChain, const int &iFileType, delphi_real &fValue) | CIO | protected |
FindRecordIndex(const string &strAtom, const string &strResidue, const string &strResidueNum, const string &strChain, const delphi_integer &iRecordNum, vector< CForce > *prgaf) | CIO | protected |
iAtomNum | CIO | |
iCrgNum | CIO | protectedstatic |
iMediaNum | CIO | |
iObjectMediaNum | CIO | protected |
iObjectNum | CIO | |
iRadiusNum | CIO | protectedstatic |
iResidueNum | CIO | |
prgac | CIO | protectedstatic |
prgas | CIO | protectedstatic |
prgiObjectMediaNum | CIO | protected |
readFileInNotPKFormat(ifstream &ifFileStream, const int &iFileType) | CIO | protected |
readFileInPKFormat(ifstream &ifFileStream, const int &iFileType) | CIO | protected |
readForceFile(const string &strFile) | CIO | |
readFrcFile(const string &strFrcFile, const SGrid< delphi_real > &fgOffCenter, const delphi_real &fScale) | CIO | |
readMod4File(ifstream &ifPdbFileStream) | CIO | protected |
readModFile1(ifstream &ifPdbFileStream) | CIO | protected |
readModFile4(ifstream &ifPdbFileStream) | CIO | protected |
readPdbFile(const string &strPdbFile, const int &iPdbFormat, const bool &bPdbUnformat) | CIO | |
readPqr4File(ifstream &ifPdbFileStream) | CIO | protected |
readPqrFile(ifstream &ifPdbFileStream) | CIO | protected |
readStdPdbFile(ifstream &ifPdbFileStream) | CIO | protected |
readUnformattedPdb(const string &strPdbFile, ifstream &ifPdbFileStream, bool &bPostProcess) | CIO | protected |
removeSpace(const string &strLine) | CIO | protected |
setDelphiAtom(const bool &bSolvePB, const bool &bSurfCrgInSite, const string &strSizeFile, const string &strCrgFile, const string &strPdbFile, const int &iPdbFormat, const bool &bPdbUnformat) | CIO | |
toUpperCase(const string &strLine) | CIO | protected |
vctapAtomPdb | CIO | |
vctfMediaEps | CIO | |
vctiAtomMediaNum | CIO | |
vctstrObject | CIO | |
writeEpsMap(const delphi_integer &iAtomNumIn, const delphi_integer &iObjectNumIn, const delphi_integer &iGrid, const delphi_real &fScale, const SGrid< delphi_real > &fgBoxCenter, const vector< SGrid< delphi_integer > > &vctigEpsMap, const vector< bool > &vctbDielecMap, const string &strEpsFile) | CIO | |
writeModifiedPdb(const string &strPdbFile, const int &iModPdbFormatOut) | CIO | |
writePhi() (defined in CSite) | CSite | |
writeSite(const int &iisitsf) (defined in CSite) | CSite | |
writeUnformatPdb(const string &strPdbFile) | CIO | |
~CIO() | CIO | inline |
~CSite() | CSite | inline |