rdkit.rdBase module — The RDKit 2025.09.6 documentation

# rdkit.rdBase module

Module containing basic definitions for wrapped C++ code

rdkit.rdBase.AttachFileToLog((str)spec, (str)filename[, (int)delay=100]) → None :

  Causes the log to write to a file

  C++ signature :

    void AttachFileToLog(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,int=100])

class rdkit.rdBase.BlockLogs((object)self) → None :

  Bases: `instance`

  Temporarily block logs from outputting while this instance is in scope.

  C++ signature :

    void __init__(_object*)

rdkit.rdBase.DisableLog((str)spec) → None :
  C++ signature :

    void DisableLog(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

rdkit.rdBase.EnableLog((str)spec) → None :
  C++ signature :

    void EnableLog(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

rdkit.rdBase.LogDebugMsg((str)msg) → None :

  Log a message to the RDKit debug logs

  C++ signature :

    void LogDebugMsg(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

rdkit.rdBase.LogErrorMsg((str)msg) → None :

  Log a message to the RDKit error logs

  C++ signature :

    void LogErrorMsg(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

rdkit.rdBase.LogInfoMsg((str)msg) → None :

  Log a message to the RDKit info logs

  C++ signature :

    void LogInfoMsg(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

rdkit.rdBase.LogMessage((str)spec, (str)msg) → None :

  Log a message to any rdApp.* log

  C++ signature :

    void LogMessage(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

rdkit.rdBase.LogStatus() → str :
  C++ signature :

    std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > LogStatus()

rdkit.rdBase.LogToCppStreams() → None :

  Initialize RDKit logs with C++ streams

  C++ signature :

    void LogToCppStreams()

rdkit.rdBase.LogToPythonLogger() → None :

  Initialize RDKit logs with Python’s logging module

  C++ signature :

    void LogToPythonLogger()

rdkit.rdBase.LogToPythonStderr() → None :

  Initialize RDKit logs with Python’s stderr stream

  C++ signature :

    void LogToPythonStderr()

rdkit.rdBase.LogWarningMsg((str)msg) → None :

  Log a message to the RDKit warning logs

  C++ signature :

    void LogWarningMsg(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

class rdkit.rdBase.MatchTypeVect((object)arg1) → None :

  Bases: `instance`

  C++ signature :

    void __init__(_object*)

  append((MatchTypeVect)arg1, (rdkit.Chem.rdMolDescriptors.AtomPairsParameters)arg2) → None :
    C++ signature :

      void append(std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > {lvalue},boost::python::api::object)

  extend((MatchTypeVect)arg1, (rdkit.Chem.rdMolDescriptors.AtomPairsParameters)arg2) → None :
    C++ signature :

      void extend(std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > {lvalue},boost::python::api::object)

rdkit.rdBase.SeedRandomNumberGenerator((int)seed) → None :

  Provides a seed to the standard C random number generator This does not affect pure Python code, but is relevant to some of the RDKit C++ components.

  C++ signature :

    void SeedRandomNumberGenerator(unsigned int)

class rdkit.rdBase.UnsignedLong_Vect((object)arg1) → None :

  Bases: `instance`

  C++ signature :

    void __init__(_object*)

  append((UnsignedLong_Vect)arg1, (rdkit.Chem.rdMolDescriptors.AtomPairsParameters)arg2) → None :
    C++ signature :

      void append(std::vector<unsigned long, std::allocator<unsigned long> > {lvalue},boost::python::api::object)

  extend((UnsignedLong_Vect)arg1, (rdkit.Chem.rdMolDescriptors.AtomPairsParameters)arg2) → None :
    C++ signature :

      void extend(std::vector<unsigned long, std::allocator<unsigned long> > {lvalue},boost::python::api::object)

class rdkit.rdBase.VectorOfStringVectors((object)arg1) → None :

  Bases: `instance`

  C++ signature :

    void __init__(_object*)

  append((VectorOfStringVectors)arg1, (rdkit.Chem.rdMolDescriptors.AtomPairsParameters)arg2) → None :
    C++ signature :

      void append(std::vector<std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >, std::allocator<std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > > > {lvalue},boost::python::api::object)

  extend((VectorOfStringVectors)arg1, (rdkit.Chem.rdMolDescriptors.AtomPairsParameters)arg2) → None :
    C++ signature :

      void extend(std::vector<std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >, std::allocator<std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > > > {lvalue},boost::python::api::object)

rdkit.rdBase.WrapLogs() → None :

  Tee the RDKit logs to Python’s stderr stream

  C++ signature :

    void WrapLogs()

class rdkit.rdBase.ostream((object)arg1, (rdkit.Chem.rdMolDescriptors.AtomPairsParameters)python_file_obj[, (int)buffer_size=0]) → None :

  Bases: `std_ostream`

  C++ signature :

    void __init__(_object*,boost::python::api::object {lvalue} [,unsigned long=0])

class rdkit.rdBase.std_ostream

  Bases: `instance`

  Raises an exception This class cannot be instantiated from Python

class rdkit.rdBase.streambuf((object)arg1, (rdkit.Chem.rdMolDescriptors.AtomPairsParameters)python_file_obj[, (int)buffer_size=0]) → None :

  Bases: `instance`

  documentation

  C++ signature :

    void __init__(_object*,boost::python::api::object {lvalue} [,unsigned long=0])