RDKit: MolSGroupParsing.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Namespaces | Typedefs | Functions
MolSGroupParsing.h File Reference
`#include <RDGeneral/export.h>`
`#include <GraphMol/SubstanceGroup.h>`
`#include <RDGeneral/FileParseException.h>`
`#include <sstream>`

Go to the source code of this file.

## Namespaces
namespace | RDKit
| Std stuff.
namespace | RDKit::SGroupParsing

## Typedefs
typedef std::map< int, SubstanceGroup > | RDKit::SGroupParsing::IDX_TO_SGROUP_MAP
typedef std::map< int, STR_VECT > | RDKit::SGroupParsing::IDX_TO_STR_VECT_MAP

## Functions
unsigned int | RDKit::SGroupParsing::ParseSGroupIntField (const std::string &text, unsigned int line, unsigned int &pos, bool isFieldCounter=false)
unsigned int | RDKit::SGroupParsing::ParseSGroupIntField (bool &ok, bool strictParsing, const std::string &text, unsigned int line, unsigned int &pos, bool isFieldCounter=false)
double | RDKit::SGroupParsing::ParseSGroupDoubleField (const std::string &text, unsigned int line, unsigned int &pos)
double | RDKit::SGroupParsing::ParseSGroupDoubleField (bool &ok, bool strictParsing, const std::string &text, unsigned int line, unsigned int &pos)
SubstanceGroup * | RDKit::SGroupParsing::FindSgIdx (IDX_TO_SGROUP_MAP &sGroupMap, int sgIdx, unsigned int line)
template<class Exc = FileParseException>
void | RDKit::SGroupParsing::SGroupWarnOrThrow (bool strictParsing, const std::string &msg)
void | RDKit::SGroupParsing::ParseSGroupV2000STYLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SDILine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SSTLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int &line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SMTLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int &line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SLBLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SCNLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SDSLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SBVLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SDTLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SDDLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SCDSEDLine (IDX_TO_SGROUP_MAP &sGroupMap, IDX_TO_STR_VECT_MAP &dataFieldsMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing, unsigned int &counter, unsigned int &lastDataSGroup, std::ostringstream &currentDataField)
void | RDKit::SGroupParsing::ParseSGroupV2000SPLLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SNCLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SAPLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SCLLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseSGroupV2000SBTLine (IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line, bool strictParsing=true)
template<class T>
RDKIT_FILEPARSERS_EXPORT std::vector< T > | RDKit::SGroupParsing::ParseV3000Array (std::stringstream &stream, int maxV=-1, bool strictParsing=false)
template<class T>
std::vector< T > | RDKit::SGroupParsing::ParseV3000Array (const std::string &s, int maxV=-1, bool strictParsing=false)
void | RDKit::SGroupParsing::ParseV3000CStateLabel (RWMol *mol, SubstanceGroup &sgroup, std::stringstream &stream, unsigned int line, bool strictParsing=true)
void | RDKit::SGroupParsing::ParseV3000SAPLabel (RWMol *mol, SubstanceGroup &sgroup, std::stringstream &stream, bool strictParsing=true)
std::string | RDKit::SGroupParsing::ParseV3000StringPropLabel (std::stringstream &stream)
std::string | RDKit::SGroupParsing::ParseV3000SGroupsBlock (std::istream *inStream, unsigned int &line, unsigned int nSgroups, RWMol *mol, bool strictParsing)