RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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rxdock::MOL2FileSource Member List

This is the complete list of members for rxdock::MOL2FileSource, including all inherited members.

_CT (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourcestatic
_IDS_MOL2_RECDELIM (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourcestatic
_TRIPOS_DELIM (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourcestatic
_TRIPOS_DELIM_SIZE (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourcestatic
BaseFileSource(const std::string &fileName) (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
BaseFileSource(const std::string &fileName, const std::string &strRecDelim) (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
BaseMolecularDataSource(std::string strName) (defined in rxdock::BaseMolecularDataSource)rxdock::BaseMolecularDataSourceinline
BaseMolecularFileSource(const std::string &fileName, const std::string &sourceName) (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSource
BaseMolecularFileSource(const std::string &fileName, const std::string &strRecDelim, const std::string &sourceName) (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSource
ClearMolCache() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourceprotected
ClearSegmentFilterMap() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSource
FileStatus() (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
FileStatusOK() (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
from_json (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourcefriend
GetAtomList() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetBondList() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetDataFieldList() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetDataMap() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetDataValue(const std::string &strDataField) (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetEstimatedNumRecords() (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
GetFileName() (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
GetName() (defined in rxdock::BaseMolecularDataSource)rxdock::BaseMolecularDataSourceinline
GetNumAtoms() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetNumBonds() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetNumData() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetNumSegments() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetNumTitles() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetSegmentFilterMap() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSource
GetSegmentMap() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
GetTitleList() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
isAtomListSupported() (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourceinlinevirtual
isBondListSupported() (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourceinlinevirtual
isCoordinatesSupported() (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourceinlinevirtual
isDataFieldPresent(const std::string &strDataField) (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
isDataSupported() (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourceinlinevirtual
isMultiRecordSupported() (defined in rxdock::BaseFileSource)rxdock::BaseFileSourceinline
isSegmentFilterMapDefined() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSource
isTitleListSupported() (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourceinlinevirtual
m_atomList (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourceprotected
m_bondList (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourceprotected
m_bParsedOK (defined in rxdock::BaseFileSource)rxdock::BaseFileSourceprotected
m_dataMap (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourceprotected
m_lineRecs (defined in rxdock::BaseFileSource)rxdock::BaseFileSourceprotected
m_segmentMap (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourceprotected
m_titleList (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourceprotected
MOL2FileSource(const std::string &fileName, bool bImplHydrogens=true) (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSource
NextRecord() (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
Parse() (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourceprotectedvirtual
Read(bool aDelimiterAtEnd=true) (defined in rxdock::BaseFileSource)rxdock::BaseFileSourceprotected
RemoveAtom(AtomPtr spAtom) (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourceprotected
RenumberAtomsAndBonds() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourceprotected
Reset() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
Rewind() (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
SetFileName(const std::string &fileName) (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
SetSegmentFilterMap(const SegmentMap &segmentFilterMap) (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSource
SetupPartialIonicGroups(AtomList &atoms, ParameterFileSourcePtr spParamSource) (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourceprotected
Status() (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
StatusOK() (defined in rxdock::BaseFileSource)rxdock::BaseFileSource
to_json (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSourcefriend
~BaseFileSource() (defined in rxdock::BaseFileSource)rxdock::BaseFileSourcevirtual
~BaseMolecularDataSource() (defined in rxdock::BaseMolecularDataSource)rxdock::BaseMolecularDataSourceinlinevirtual
~BaseMolecularFileSource() (defined in rxdock::BaseMolecularFileSource)rxdock::BaseMolecularFileSourcevirtual
~MOL2FileSource() (defined in rxdock::MOL2FileSource)rxdock::MOL2FileSource
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