Module sdf 

Structs

SdfIterator

Iterator over molecules in an SDF file.

SdfParser

SDF V2000 format parser.

Enums

FileFormat

Detected file format for molecular structure files.

Functions

detect_format

Detects the format of a molecular structure file from its content.

detect_sdf_format

Detects the SDF format version from file content.

iter_auto_file

Returns an iterator over molecules in a file with automatic format detection.

iter_sdf_file

Returns an iterator over molecules in an SDF file.

parse_auto_file

Parses a single molecule from a file with automatic format detection.

parse_auto_file_multi

Parses multiple molecules from a file with automatic format detection.

parse_auto_string

Parses a single molecule from a string with automatic format detection.

parse_auto_string_multi

Parses multiple molecules from a string with automatic format detection.

parse_sdf_auto_file

Parses an SDF file with automatic format detection.

parse_sdf_auto_file_multi

Parses all molecules from an SDF file with automatic format detection.

parse_sdf_auto_string

Parses an SDF string with automatic format detection.

parse_sdf_auto_string_multi

Parses multiple molecules from an SDF string with automatic format detection.

parse_sdf_file

Parses a single molecule from an SDF file.

parse_sdf_file_multi

Parses all molecules from an SDF file.

parse_sdf_string

Parses a single molecule from an SDF string.

parse_sdf_string_multi

Parses all molecules from an SDF string.

Type Aliases

AutoIterator

A boxed iterator over molecules that works with any supported format.