11 #ifndef __FEATUREPARSER_H_02122004_1810__ 12 #define __FEATUREPARSER_H_02122004_1810__ 26 : d_lineNo(lineNo), d_line(line), d_msg(msg){};
27 unsigned int lineNo()
const {
return d_lineNo; };
28 std::string
line()
const {
return d_line; };
29 std::string
message()
const {
return d_msg; };
33 unsigned int d_lineNo;
34 std::string d_line, d_msg;
47 std::map<std::string, std::string> &atomTypeDefs,
48 const unsigned int &lineNo);
50 std::istream &inStream,
const std::string &inLine,
unsigned int &lineNo,
51 const std::map<std::string, std::string> &atomTypeDefs);
unsigned int lineNo() const
RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureData(const std::string &defnText, MolChemicalFeatureDef::CollectionType &featDefs)
~FeatureFileParseException()
class used to indicate errors in parsing feature definition files.
std::string message() const
RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureFile(const std::string &fileName, MolChemicalFeatureDef::CollectionType &featDefs)
std::list< boost::shared_ptr< MolChemicalFeatureDef > > CollectionType
static void parseAtomType(int val, int &atomic_num, bool &aromatic)
#define RDKIT_MOLCHEMICALFEATURES_EXPORT
RDKIT_MOLCHEMICALFEATURES_EXPORT MolChemicalFeatureDef * parseFeatureDef(std::istream &inStream, const std::string &inLine, unsigned int &lineNo, const std::map< std::string, std::string > &atomTypeDefs)
FeatureFileParseException(unsigned int lineNo, std::string line, std::string msg)