#include <MolWriters.h>
The TDTWriter is for writing molecules and properties to TDT files
Definition at line 200 of file MolWriters.h.
◆ TDTWriter() [1/2]
RDKit::TDTWriter::TDTWriter |
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const std::string & |
fileName | ) |
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- Parameters
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fileName | : filename to write to ("-" to write to stdout) |
◆ TDTWriter() [2/2]
RDKit::TDTWriter::TDTWriter |
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std::ostream * |
outStream, |
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bool |
takeOwnership = false |
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) |
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◆ ~TDTWriter()
RDKit::TDTWriter::~TDTWriter |
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◆ close()
void RDKit::TDTWriter::close |
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inlinevirtual |
◆ flush()
void RDKit::TDTWriter::flush |
( |
| ) |
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inlinevirtual |
◆ getNumDigits()
unsigned int RDKit::TDTWriter::getNumDigits |
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const |
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inline |
◆ getWrite2D()
bool RDKit::TDTWriter::getWrite2D |
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const |
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inline |
◆ getWriteNames()
bool RDKit::TDTWriter::getWriteNames |
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const |
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inline |
◆ numMols()
unsigned int RDKit::TDTWriter::numMols |
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const |
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inlinevirtual |
◆ setNumDigits()
void RDKit::TDTWriter::setNumDigits |
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unsigned int |
numDigits | ) |
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inline |
◆ setProps()
void RDKit::TDTWriter::setProps |
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const STR_VECT & |
propNames | ) |
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virtual |
set a vector of property names that are need to be written out for each molecule
Implements RDKit::MolWriter.
◆ setWrite2D()
void RDKit::TDTWriter::setWrite2D |
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bool |
state = true | ) |
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inline |
◆ setWriteNames()
void RDKit::TDTWriter::setWriteNames |
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bool |
state = true | ) |
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inline |
◆ write()
The documentation for this class was generated from the following file: