RDKit
Open-source cheminformatics and machine learning.
RDKit::GeneralMolSupplier Namespace Reference

Classes

struct  SupplierOptions
 

Functions

void determineFormat (const std::string path, std::string &fileFormat, std::string &compressionFormat)
 
std::unique_ptr< MolSuppliergetSupplier (const std::string &path, const struct SupplierOptions &opt)
 

Variables

const std::vector< std::string > supportedFileFormats
 current supported file formats More...
 
const std::vector< std::string > supportedCompressionFormats {"gz"}
 current supported compression formats More...
 

Function Documentation

◆ determineFormat()

void RDKit::GeneralMolSupplier::determineFormat ( const std::string  path,
std::string &  fileFormat,
std::string &  compressionFormat 
)

given file path determines the file and compression format returns true on success, otherwise false Note: Error handeling is done in the getSupplier method

filename without compression format

Special case maegz. NOTE: also supporting case-insensitive filesystems

Definition at line 54 of file GeneralFileReader.h.

References supportedFileFormats.

Referenced by getSupplier().

◆ getSupplier()

Variable Documentation

◆ supportedCompressionFormats

const std::vector<std::string> RDKit::GeneralMolSupplier::supportedCompressionFormats {"gz"}

current supported compression formats

Definition at line 48 of file GeneralFileReader.h.

◆ supportedFileFormats

const std::vector<std::string> RDKit::GeneralMolSupplier::supportedFileFormats
Initial value:
{
"sdf", "mae", "maegz", "sdfgz", "smi", "csv", "txt", "tsv", "tdt"}

current supported file formats

Definition at line 45 of file GeneralFileReader.h.

Referenced by determineFormat().