18 namespace SGroupParsing {
26 bool isFieldCounter =
false);
32 const std::string &text,
unsigned int line);
35 const std::string &text,
unsigned int line);
38 const std::string &text,
unsigned int line);
41 const std::string &text,
unsigned int line);
44 const std::string &text,
unsigned int line);
47 const std::string &text,
unsigned int line);
50 const std::string &text,
unsigned int line);
53 const std::string &text,
unsigned int line);
55 const std::string &text,
unsigned int line);
58 const std::string &text,
unsigned int line);
61 const std::string &text,
unsigned int line);
65 const std::string &text,
unsigned int line,
66 bool strictParsing,
unsigned int &counter,
67 unsigned int &lastDataSGroup,
68 std::ostringstream ¤tDataField);
71 const std::string &text,
unsigned int line);
74 const std::string &text,
unsigned int line);
77 const std::string &text,
unsigned int line);
80 const std::string &text,
unsigned int line);
83 const std::string &text,
unsigned int line);
89 #if defined(WIN32) && defined(RDKIT_DYN_LINK)
97 std::stringstream stream(s);
98 return ParseV3000Array<T>(stream);
105 std::stringstream &stream);
110 unsigned int nSgroups,
RWMol *mol,
111 bool &strictParsing);
Defines the SubstanceGroup class.
RWMol is a molecule class that is intended to be edited.
The class for representing SubstanceGroups.
#define RDKIT_FILEPARSERS_EXPORT
void ParseSGroupV2000SMTLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseV3000CStateLabel(unsigned int line, const std::string &type, SubstanceGroup *sgroup, std::stringstream &stream)
unsigned int ParseSGroupIntField(const std::string &text, unsigned int line, unsigned int &pos, bool isFieldCounter=false)
void ParseSGroupV2000SBTLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseSGroupV2000SDSLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseSGroupV2000STYLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
std::map< int, SubstanceGroup > IDX_TO_SGROUP_MAP
void 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 ¤tDataField)
void ParseSGroupV2000SDDLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseV3000SAPLabel(RWMol *mol, SubstanceGroup *sgroup, std::stringstream &stream)
std::vector< T > ParseV3000Array(std::stringstream &stream)
void ParseSGroupV2000SCLLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseSGroupV2000SDILine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseSGroupV2000SAPLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseSGroupV2000SCNLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseSGroupV2000SSTLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseSGroupV2000SDTLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseSGroupV2000SNCLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseSGroupV2000SPLLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
std::string ParseV3000StringPropLabel(std::stringstream &stream)
void ParseV3000SGroupsBlock(std::istream *inStream, unsigned int &line, unsigned int nSgroups, RWMol *mol, bool &strictParsing)
std::map< int, STR_VECT > IDX_TO_STR_VECT_MAP
void ParseSGroupV2000SLBLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
double ParseSGroupDoubleField(const std::string &text, unsigned int line, unsigned int &pos)
void ParseSGroupV2000SBVLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)
void ParseSGroupV2000VectorDataLine(IDX_TO_SGROUP_MAP &sGroupMap, RWMol *mol, const std::string &text, unsigned int line)