# glyrepr 0.12.1

## Minor improvements and bug fixes

* Performance optimization for glycan structure vector creation. (#46)

# glyrepr 0.12.0

## New features

* Add `get_anomer_pos()` helper to get the anomer position of a monosaccharide.
* Add `fill_anomer_pos()` function to fill the anomer position of a glycan structure with missing anomer information.

# glyrepr 0.11.0

## Breaking changes

* `get_structure_level()` now returns one character scalar for a `glyrepr_structure` vector instead of one value per element. The vector-wide level is "intact", "partial", "topological", or "basic" according to the combined residue and linkage detail of the non-missing structures in the vector (#42).

## New features

* `as_glycan_composition()` now supports parsing "E" and "L" in the input composition strings as "NeuAc". For example, `as_glycan_composition("H5N4F1L1E1")` is now correctly parsed as `Hex(5)HexNAc(4)Fuc(1)NeuAc(2)`, with a warning about dropping the sialic acid linkage information (#41).

## Minor improvements and bug fixes

* Fix the bug that `glycan_composition()` and `as_glycan_composition()` cannot handle duplications in the input. For example, `as_glycan_composition("Hex(2)Hex(1)HexNAc(2)")` is correctly regared as `Hex(3)HexNAc(2)` now (#40).
* `as_glycan_structure(NA_character_)` now creates a missing structure instead of erroring.
* `get_structure_level()` now ignores missing structures when determining the vector-wide level, and returns `NA_character_` for empty or all-missing structure vectors.
* `reduce_structure_level()` preserves missing structures in output.
* `simap()` and ``simap_structure()` now skip missing structures like the other smap variants.
* `get_mono_type.glyrepr_composition()` now ignores missing composition elements and returns `NA_character_` for all-NA composition vectors.
* Rewrite the Getting Started vignette for better readability and adopt a calmer tone for all vignettes.

# glyrepr 0.10.1

## Minor improvements and bug fixes

* Use `dplyr::recode_values()` to replace deprecated `dplyr::case_match()` to prevent warnings from `dplyr`.

# glyrepr 0.10.0

We have redesigned the internal implementation of `glyrepr_composition` and `glyrepr_structure`. This brought native support for names to `glyrepr_structure`, and NA values to both `glyrepr_structure` and `glyrepr_composition`.

## New features

* `smap()`, `smap2()`, `spmap()`, `simap()` and their variants now preserve
  names from input `glyrepr_structure` vectors in their output.
* `glyrepr_structure` now formally supports names. All operations on a named `glyrepr_structure` vectors preserve the names.
* NA values are supported for `glyrepr_structure` and `glyrepr_composition`. Any operation on a `glyrepr_structure` or `glyrepr_composition` vector with NA values behave intuitively. `is.na()` now works for these two classes.
* `glycan_composition()` now accepts another `glyrepr_composition` vector as input, returning it as-is.

## Breaking changes

* `glyrepr_composition` and `glyrepr_structure` now enforce the same monosaccharide type ("concrete" or "generic") within a vector. Mixed types are not allowed anymore. This invariant is enforced both when creating new vectors and when combining existing vectors.
* `glycan_structure()` now does not support multiple `glyrepr_structure` vectors as input anymore. For example, `glycan_structure(o_glycan_core_1(), o_glycan_core_2())` is not valid anymore. Please use `c(o_glycan_core_1(), o_glycan_core_2())` instead.
* `get_mono_type()` now returns a character scalar instead of a character vector for `glyrepr_structure` and `glyrepr_composition`.

## Minor improvements and bug fixes

* Subsetting `glyrepr_structure` with `integer(0)` and `NULL` correctly removes all underlying graphs.
* `[[<-` is forbidden on `glyrepr_structure` vectors. Previously, the operation could be performed silently, but resulted in an invalid object.

# glyrepr 0.9.0

## New features

* Update the monosaccharides table, ensuring all monosaccharides having generic names:
  * Add generic monosaccharides to Ara, Lyx, Xyl, Rib, Api, Neu, Kdn, Pse, Leg, Aci, 4eLeg, Bac, LDmanHep, DDmanHep, Kdo, Dha, MurNAc, MurNGc, Mur, Fru, Tag, Sor, Psi.
  * Rename "Pent" to "Pen".
  * Delete "Sia" from the table.
* `count_mono()` now supports counting substituents, with a new argument `include_subs`.
* Add `reduce_structure_level()` to reduce a glycan structure to a lower resolution level.

## Minor improvements and bug fixes

* Fix the bug that `convert_to_generic()` fails with glycan compositions containing substituents.
* Fix the bug that `has_linkages()` didn't consider reducing end anomers, which influenced the results of `get_structure_level()`.

# glyrepr 0.8.0

## Breaking changes

* Remove `normalize_substituents()`. This function does not help outside of `glyrepr` so we make it an internal function.
* `glycan_composition()` cannot accept empty integer vectors now. Therefore, `glycan_composition(integer(0))` is not valid anymore.
* `glycan_composition()` now checks input types more strictly.
* `as_glycan_composition()` handles NA values and empty strings ("") more strictly. Now an error will be raised if NA values or empty strings are passed instead of dropping them silently. This update makes `as_glycan_composition()` size-stable and consistent with `as_glycan_structure()`.

## New features

* Add `get_structure_level()` to get the structure resolution levels of a glycan structure vector.
* `as_glycan_composition()` now supports simple composition strings like "H5N2", "H5N4F1S2", "H5N4A1G1", etc.
* `count_mono()` now returns total number of monosaccharides when `mono` is `NULL`.
* `has_linkages()` now has a `strict` parameter to control the strictness of the check.

## Minor improvements and bug fixes

* `glycan_composition()` now supports `!!!`.
* Add more examples about character strings in the documentation of `as_glycan_composition()`.
* Add a section about structure resolution levels in the getting started vignette.

# glyrepr 0.7.5

## Minor improvements and bug fixes

* IUPAC sequence generation is deterministic now for tie branches.
* Glycan structures are now truncated when printed to console as a column in a tibble.
* Glycan compositions are now colored when printed to console as a column in a tibble.

# glyrepr 0.7.4

## Minor improvements and bug fixes

* Update package title and description.
* Remove parallel examples in `smap()`.

# glyrepr 0.7.3

## Minor improvements and bug fixes

* Fix some typos in the documentation.
* Add examples to some functions.
* Prepare for release on CRAN.

# glyrepr 0.7.2

## Minor improvements and bug fixes

* Fix the bug that `structure_to_iupac()` returns incorrect sequences with incorrect backbone or branch order.

# glyrepr 0.7.1

## Minor improvements and bug fixes

* Fix the bug that `smap2()`, `spmap()`, and related functions return unexpected results when the input `y` is a list.
* Improve the documentation of `glycan_structure()`, including the new behavior of vertex and edge order introduced in 0.7.0.

# glyrepr 0.7.0

## Breaking changes

* `convert_mono_type()` is now replaced by `convert_to_generic()`. `convert_mono_type()` was created when three monosaccharide types existed: "concrete", "generic", and "simple". When "simple" was removed, the old `convert_mono_type()` seems redundant, as the only valid conversion is from "concrete" to "generic" now. Therefore, we remove this function now and add a more straightforward `convert_to_generic()`.
* `get_structure_graphs()` is redesigned.
  - The `i` parameter is removed, as indexing can be done manually on the input `glyrepr_structure` vector or on the returned list easily.
  - Add a `return_list` parameter to control the return type. This parameter makes this function "type-stable".
* `glycan_structure()` and `as_glycan_structure()` now reorder the underlying graphs to be in line with the IUPAC-style sequence. For example, the vertex order of "Gal(b1-3)[GlcNAc(b1-6)]GalNAc(b1-" is always 1. Gal, 2. GlcNAc, 3. GalNAc, and edges b1-3, b1-6, no matter what the original graphs are. Users can assign the indices of vertices and edges easily by printing the structure to console. This update makes `glymotif::match_motif()` more meaningful.

## New features

* `glyrepr_structure` has colors now in tibbles when printed to console.

## Minor improvements and bug fixes

* Fix the bug that monosaccharides with substituents are not colored when a `glycan_structure()` is printed in the console. For example, the "Neu5Ac" part in "Neu5Ac9Ac(a2-" was printed in black. Now it is printed in purple, while the "9Ac" part remains in black.
* Fix the bug that Neu5Ac and Neu5Gc with substituents at position 2, 3, or 4 could not be correctly parsed. Now, complex patterns like "Neu4Ac5Ac9Ac" can be properly handled, into a "Neu5Ac" monosaccharide with "4Ac,9Ac" as substituents.

# glyrepr 0.6.1

## Minor improvements and bug fixes

* `n_glycan_core()` now has a "b1" reducing end anomer, not "?1".
* Add validation to `glycan_structure()` to ensure no duplicated linkage positions. For example, "Gal(b1-3)[Fuc(a1-3)]GalNAc(b1-" is invalid now becuase both "Gal" and "Fuc" are linked to "GalNAc" at position 3.
* Add descriptions about ambiguous linkages and anomers in `glycan_structure()` documentation.
* `remove_linkages()` now also removes reducing end anomers.
* `n_glycan_core()`, `o_glycan_core_1()`, and `o_glycan_core_2()` now have "??" anomers when `linkage = FALSE`.
* Fix a bug in `smap_structure()`, `smap2_structure()`, `spmap_structure()`, and `simap_structure()` where modifying the structures can create identical structures, but the unique structures are not updated correctly. This automatically fixes a similar bug in `remove_linkages()`.

# glyrepr 0.6.0

## Breaking changes

* Remove the "alditol" attribute from `glycan_structure()` objects. This information is rarely used in glycomics and glycoproteomics data analysis. It is removed according to the razor principle.
* `as_glycan_structure()` now doesn't allow the input IUPAC-condensed strings to omit the anomer information. Previously, something like "Glc(a1-3)GlcNAc" is valid. `as_glycan_structure()` assumed that the core "GlcNAc" has a "?1-" anomer and added it automatically. The problem is that this behavior was not easily awared by users and might cause confusion. Again, less is more, so we remove it.

# glyrepr 0.5.2

## Minor improvements and bug fixes

* Fix some error message format errors.
* Update the abbreviated type name of `glyrepr_structure` from `structure` to `struct`.

# glyrepr 0.5.0

## Major changes

* Glycan structures now support multiple substituents on a single monosaccharide.
  Substituents are stored as comma-separated strings internally and concatenated
  in IUPAC format for display.
* Glycan compositions now support substituents. The `glycan_composition` class
  can now represent and count substituents alongside monosaccharides.
