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)

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)

Bases: instance

C++ signature :

void __init__(_object*)

append((MatchTypeVect)arg1, (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, (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)

Bases: instance

C++ signature :

void __init__(_object*)

append((UnsignedLong_Vect)arg1, (AtomPairsParameters)arg2) → None :

C++ signature :

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

extend((UnsignedLong_Vect)arg1, (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)

Bases: instance

C++ signature :

void __init__(_object*)

append((VectorOfStringVectors)arg1, (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, (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, (AtomPairsParameters)python_file_obj[, (int)buffer_size=0])

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, (AtomPairsParameters)python_file_obj[, (int)buffer_size=0])

Bases: instance

documentation

C++ signature :

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