Class TDTWriter

C++ signature:
GetNumDigits(RDKit::TDTWriter {lvalue}) -> unsigned int

C++ signature:
GetWrite2D(RDKit::TDTWriter {lvalue}) -> bool

C++ signature:
GetWriteNames(RDKit::TDTWriter {lvalue}) -> bool

Returns the number of molecules written so far.


C++ signature:
    NumMols(RDKit::TDTWriter {lvalue}) -> unsigned int

sets the number of digits to be written for coordinates
C++ signature:
    SetNumDigits(RDKit::TDTWriter {lvalue}, unsigned int) -> void*

Sets the properties to be written to the output file

  ARGUMENTS:

    - props: a list or tuple of property names


C++ signature:
    SetProps(RDKit::TDTWriter {lvalue}, boost::python::api::object) -> void*

causes 2D conformations to be written (default is 3D conformations)
C++ signature:
    SetWrite2D(RDKit::TDTWriter {lvalue} self, bool state=True) -> void*

causes names to be written to the output file as NAME records
C++ signature:
    SetWriteNames(RDKit::TDTWriter {lvalue} self, bool state=True) -> void*

C++ signature:
__init__(_object*, std::string fileName) -> void*

Overrides: object.__init__

Flushes the output file (forces the disk file to be updated).


C++ signature:
    flush(RDKit::TDTWriter {lvalue}) -> void*

Writes a molecule to the output file.

  ARGUMENTS:

    - mol: the Mol to be written
    - confId: (optional) ID of the conformation to write


C++ signature:
    write(RDKit::TDTWriter {lvalue} self, RDKit::ROMol {lvalue} mol, int confId=-1) -> void*