Generate IUPAC-Condensed from a Glycan Graph

Generate one IUPAC-condensed string directly from one glycan graph.

Usage

graph_to_iupac(graph)

Arguments

graph: A single igraph glycan graph.

Value

A single, unnamed IUPAC-condensed string.

Details

This low-level function assumes that graph is valid and canonical. It performs no semantic validation or canonicalization.

Low-level API warning

These functions are low-level, developer-facing APIs. Calling them directly is usually not a good idea unless you understand and can guarantee all glycan graph and glyrepr_structure invariants. Prefer as_glycan_structure() for ordinary construction. Incorrect use of these functions can create invalid structure vectors that fail in later operations.

Name-preserving manual construction

The five low-level functions can reproduce strict graph-based construction while preserving the names of the input graph list:

input_names <- names(graphs)
graphs <- unname(graphs)

graphs <- purrr::map(graphs, validate_glycan_graph)
graphs <- purrr::map(graphs, canonicalize_glycan_graph)
validate_glycan_graph_vector(graphs)

iupacs <- purrr::map_chr(graphs, graph_to_iupac)
names(iupacs) <- input_names

unique <- !duplicated(unname(iupacs))
unique_graphs <- graphs[unique]
names(unique_graphs) <- unname(iupacs[unique])

new_glycan_structure(iupacs, unique_graphs)

Unlike as_glycan_structure(graphs, on_failure = "na"), this strict pipeline stops at the first invalid graph.