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58 lines
2.0 KiB
C++
58 lines
2.0 KiB
C++
//
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// Copyright (C) 2004-2006 Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include <RDGeneral/export.h>
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#ifndef __FEATUREPARSER_H_02122004_1810__
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#define __FEATUREPARSER_H_02122004_1810__
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#include <iostream>
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#include <string>
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#include <map>
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#include "MolChemicalFeatureDef.h"
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namespace RDKit {
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//! \brief class used to indicate errors in parsing feature definition
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//! files.
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class RDKIT_MOLCHEMICALFEATURES_EXPORT FeatureFileParseException
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: public std::exception {
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public:
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FeatureFileParseException(unsigned int lineNo, std::string line,
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std::string msg)
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: d_lineNo(lineNo), d_line(line), d_msg(msg){};
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unsigned int lineNo() const { return d_lineNo; };
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std::string line() const { return d_line; };
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std::string message() const { return d_msg; };
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~FeatureFileParseException() throw(){};
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private:
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unsigned int d_lineNo;
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std::string d_line, d_msg;
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};
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RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureData(
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const std::string &defnText,
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MolChemicalFeatureDef::CollectionType &featDefs);
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RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureData(
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std::istream &istream, MolChemicalFeatureDef::CollectionType &featDefs);
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RDKIT_MOLCHEMICALFEATURES_EXPORT int parseFeatureFile(
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const std::string &fileName,
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MolChemicalFeatureDef::CollectionType &featDefs);
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namespace Local {
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// these functions are exposed only so they can be tested
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RDKIT_MOLCHEMICALFEATURES_EXPORT void parseAtomType(
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const std::string &inLine, std::map<std::string, std::string> &atomTypeDefs,
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const unsigned int &lineNo);
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RDKIT_MOLCHEMICALFEATURES_EXPORT MolChemicalFeatureDef *parseFeatureDef(
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std::istream &inStream, const std::string &inLine, unsigned int &lineNo,
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const std::map<std::string, std::string> &atomTypeDefs);
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} // namespace Local
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} // end of namespace RDKit
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#endif
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