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RDKit
Open-source cheminformatics and machine learning.
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11 #ifndef __FEATUREPARSER_H_02122004_1810__
12 #define __FEATUREPARSER_H_02122004_1810__
23 :
public std::exception {
27 : d_lineNo(lineNo), d_line(line), d_msg(msg){};
28 unsigned int lineNo()
const {
return d_lineNo; };
29 std::string
line()
const {
return d_line; };
30 std::string
message()
const {
return d_msg; };
34 unsigned int d_lineNo;
35 std::string d_line, d_msg;
39 const std::string &defnText,
44 const std::string &fileName,
50 const std::string &inLine, std::map<std::string, std::string> &atomTypeDefs,
51 const unsigned int &lineNo);
53 std::istream &inStream,
const std::string &inLine,
unsigned int &lineNo,
54 const std::map<std::string, std::string> &atomTypeDefs);
RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureData(const std::string &defnText, MolChemicalFeatureDef::CollectionType &featDefs)
std::list< boost::shared_ptr< MolChemicalFeatureDef > > CollectionType
RDKIT_MOLCHEMICALFEATURES_EXPORT void parseAtomType(const std::string &inLine, std::map< std::string, std::string > &atomTypeDefs, const unsigned int &lineNo)
FeatureFileParseException(unsigned int lineNo, std::string line, std::string msg)
class used to indicate errors in parsing feature definition files.
unsigned int lineNo() const
~FeatureFileParseException()
RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureFile(const std::string &fileName, MolChemicalFeatureDef::CollectionType &featDefs)
RDKIT_MOLCHEMICALFEATURES_EXPORT MolChemicalFeatureDef * parseFeatureDef(std::istream &inStream, const std::string &inLine, unsigned int &lineNo, const std::map< std::string, std::string > &atomTypeDefs)
#define RDKIT_MOLCHEMICALFEATURES_EXPORT
std::string message() const