delphi_cb
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CSite Member List

This is the complete list of members for CSite, including all inherited members.

bExistRadiiInfoCIOprotected
bOnlyMoleculeCIO
checkFileFormat(const string &strFile)CIOprotected
CIO()CIOinline
CIO(delphi_real fDielecIn, delphi_real fEPKTIn)CIOinline
CSite(shared_ptr< IDataContainer > pdc, shared_ptr< CTimer > pt) (defined in CSite)CSiteinline
fDielecCIOprotected
fEPKTCIOprotected
FindRecord(const string &strAtom, const string &strResidue, const string &strResidueNum, const string &strChain, const int &iFileType, delphi_real &fValue)CIOprotected
FindRecordIndex(const string &strAtom, const string &strResidue, const string &strResidueNum, const string &strChain, const delphi_integer &iRecordNum, vector< CForce > *prgaf)CIOprotected
iAtomNumCIO
iCrgNumCIOprotectedstatic
iMediaNumCIO
iObjectMediaNumCIOprotected
iObjectNumCIO
iRadiusNumCIOprotectedstatic
iResidueNumCIO
prgacCIOprotectedstatic
prgasCIOprotectedstatic
prgiObjectMediaNumCIOprotected
readFileInNotPKFormat(ifstream &ifFileStream, const int &iFileType)CIOprotected
readFileInPKFormat(ifstream &ifFileStream, const int &iFileType)CIOprotected
readForceFile(const string &strFile)CIO
readFrcFile(const string &strFrcFile, const SGrid< delphi_real > &fgOffCenter, const delphi_real &fScale)CIO
readMod4File(ifstream &ifPdbFileStream)CIOprotected
readModFile1(ifstream &ifPdbFileStream)CIOprotected
readModFile4(ifstream &ifPdbFileStream)CIOprotected
readPdbFile(const string &strPdbFile, const int &iPdbFormat, const bool &bPdbUnformat)CIO
readPqr4File(ifstream &ifPdbFileStream)CIOprotected
readPqrFile(ifstream &ifPdbFileStream)CIOprotected
readStdPdbFile(ifstream &ifPdbFileStream)CIOprotected
readUnformattedPdb(const string &strPdbFile, ifstream &ifPdbFileStream, bool &bPostProcess)CIOprotected
removeSpace(const string &strLine)CIOprotected
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)CIOprotected
vctapAtomPdbCIO
vctfMediaEpsCIO
vctiAtomMediaNumCIO
vctstrObjectCIO
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()CIOinline
~CSite()CSiteinline