lazy file parser for TDT files
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#include <MolSupplier.h>
lazy file parser for TDT files
Definition at line 339 of file MolSupplier.h.
◆ TDTMolSupplier() [1/3]
- Parameters
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fileName | - the name of the TDT file |
nameRecord | - property name for the molecule name. If empty (the default), the name defaults to be empty |
confId2D | - if >=0 and 2D coordinates are provided, the 2D structure (depiction) in the input will be read into the corresponding conformer id. |
confId3D | - if >=0 and 3D coordinates are provided, the 3D structure (depiction) in the input will be read into the corresponding conformer id. |
sanitize | - if true sanitize the molecule before returning it |
◆ TDTMolSupplier() [2/3]
◆ TDTMolSupplier() [3/3]
RDKit::v2::FileParsers::TDTMolSupplier::TDTMolSupplier |
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◆ ~TDTMolSupplier()
RDKit::v2::FileParsers::TDTMolSupplier::~TDTMolSupplier |
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inlineoverride |
◆ atEnd()
bool RDKit::v2::FileParsers::TDTMolSupplier::atEnd |
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overridevirtual |
◆ getItemText()
std::string RDKit::v2::FileParsers::TDTMolSupplier::getItemText |
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unsigned int | idx | ) |
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◆ init()
void RDKit::v2::FileParsers::TDTMolSupplier::init |
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overridevirtual |
◆ length()
unsigned int RDKit::v2::FileParsers::TDTMolSupplier::length |
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◆ moveTo()
void RDKit::v2::FileParsers::TDTMolSupplier::moveTo |
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unsigned int | idx | ) |
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◆ next()
std::unique_ptr< RWMol > RDKit::v2::FileParsers::TDTMolSupplier::next |
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overridevirtual |
◆ operator[]()
std::unique_ptr< RWMol > RDKit::v2::FileParsers::TDTMolSupplier::operator[] |
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unsigned int | idx | ) |
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◆ reset()
void RDKit::v2::FileParsers::TDTMolSupplier::reset |
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overridevirtual |
◆ setData()
The documentation for this class was generated from the following file: