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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>#include <string>#include <iostream>#include <RDGeneral/BoostStartInclude.h>#include <boost/lexical_cast.hpp>#include <boost/algorithm/string.hpp>#include <RDGeneral/BoostEndInclude.h>Go to the source code of this file.
Namespaces | |
| RDKit | |
| Std stuff. | |
| RDKit::FileParserUtils | |
Functions | |
| template<typename T > | |
| T | RDKit::FileParserUtils::stripSpacesAndCast (const std::string &input, bool acceptSpaces=false) |
| RDKIT_FILEPARSERS_EXPORT int | RDKit::FileParserUtils::toInt (const std::string &input, bool acceptSpaces=false) |
| RDKIT_FILEPARSERS_EXPORT double | RDKit::FileParserUtils::toDouble (const std::string &input, bool acceptSpaces=true) |
| RDKIT_FILEPARSERS_EXPORT std::string | RDKit::FileParserUtils::getV3000Line (std::istream *inStream, unsigned int &line) |
| RDKIT_FILEPARSERS_EXPORT bool | RDKit::FileParserUtils::ParseV3000CTAB (std::istream *inStream, unsigned int &line, RWMol *mol, Conformer *&conf, bool &chiralityPossible, unsigned int &nAtoms, unsigned int &nBonds, bool strictParsing=true, bool expectMEND=true) |
| RDKIT_FILEPARSERS_EXPORT bool | RDKit::FileParserUtils::ParseV2000CTAB (std::istream *inStream, unsigned int &line, RWMol *mol, Conformer *&conf, bool &chiralityPossible, unsigned int &nAtoms, unsigned int &nBonds, bool strictParsing=true) |
| RDKIT_FILEPARSERS_EXPORT Atom * | RDKit::FileParserUtils::replaceAtomWithQueryAtom (RWMol *mol, Atom *atom) |