floating-substituents.md
In glyrepr: Representation for Glycan Compositions and Structures

floating substituent assignments must be conflict-free

Code
  cat(paste0(invalid, "\n", purrr::map_chr(errors, conditionMessage), collapse = "\n\n"))
Output
  {6S|1}Gal6Me(a1-
  i In index: 1.
  Caused by error in `floating_substituent_domain()`:
  ! Floating substituent has impossible explicit parent metadata.
  x Floating substituent 1 cannot use explicit parent node 1 because every declared carbon position is already occupied.

  {6S|1,2}Gal6Me(a1-3)Glc(a1-
  i In index: 1.
  Caused by error in `floating_substituent_domain()`:
  ! Floating substituent has impossible explicit parent metadata.
  x Floating substituent 1 cannot use explicit parent node 1 because every declared carbon position is already occupied.

  {6S}{6Ac}Gal(a1-
  i In index: 1.
  Caused by error in `validate_floating_metadata_assignments()`:
  ! Floating substituents cannot be localized simultaneously.
  x No conflict-free assignment exists for the declared parent residues and carbon positions.

  {4/6S|1}{4Ac|1}{6Me|1}Gal(a1-
  i In index: 1.
  Caused by error in `validate_floating_metadata_assignments()`:
  ! Floating substituents cannot be localized simultaneously.
  x No conflict-free assignment exists for the declared parent residues and carbon positions.

malformed floating substituent IUPAC is rejected

Code
  cat(paste0(invalid, "\n", purrr::map_chr(errors, conditionMessage), collapse = "\n\n"))
Output
  {S}Gal(a1-3)Glc(a1-
  i In index: 1.
  Caused by error in `purrr::map()`:
  i In index: 1.
  Caused by error in `.f()`:
  ! A floating part must end with its linkage to its unresolved parent.

  {0S}Gal(a1-3)Glc(a1-
  i In index: 1.
  Caused by error in `purrr::map()`:
  i In index: 1.
  Caused by error in `.f()`:
  ! A floating part must end with its linkage to its unresolved parent.

  {6X}Gal(a1-3)Glc(a1-
  i In index: 1.
  Caused by error in `purrr::map()`:
  i In index: 1.
  Caused by error in `.f()`:
  ! A floating part must end with its linkage to its unresolved parent.

  {6S|}Gal(a1-3)Glc(a1-
  i In index: 1.
  Caused by error in `split_floating_iupac_part()`:
  ! Floating part parents must be comma-separated positive node indices.

  {6S|0}Gal(a1-3)Glc(a1-
  i In index: 1.
  Caused by error in `split_floating_iupac_part()`:
  ! Floating part parents must be comma-separated positive node indices.

  {6S|1,1}Gal(a1-3)Glc(a1-
  i In index: 1.
  Caused by error in `split_floating_iupac_part()`:
  ! Floating part parent indices must be unique.

  {6S|3}Gal(a1-3)Glc(a1-
  i In index: 1.
  Caused by error in `purrr::map()`:
  i In index: 1.
  Caused by error in `validate_floating_source_parents()`:
  ! Floating parent index is outside the complete glycan structure.
  i The complete structure has 2 nodes.

  {6S|1|2}Gal(a1-3)Glc(a1-
  i In index: 1.
  Caused by error in `split_floating_iupac_part()`:
  ! A floating part can contain at most one parent-index separator.

invalid floating substituent graph metadata is rejected

Code
  cat(paste0(names(errors), "\n", purrr::map_chr(errors, conditionMessage),
  collapse = "\n\n"))
Output
  malformed_attr
  i In index: 1.
  Caused by error in `normalize_floating_substituents()`:
  ! Graph attribute floating_substituents must be a list.

  missing_field
  i In index: 1.
  Caused by error in `purrr::map()`:
  i In index: 1.
  Caused by error in `.f()`:
  ! Floating substituent metadata is incomplete.
  x Missing field: parents.

  unknown_substituent
  i In index: 1.
  Caused by error in `purrr::map()`:
  i In index: 1.
  Caused by error in `.f()`:
  ! Each floating substituent must contain one valid token in substituent.

  noncanonical_substituent
  i In index: 1.
  Caused by error in `purrr::map()`:
  i In index: 1.
  Caused by error in `.f()`:
  ! Floating substituent field substituent must use canonical position order.

  duplicate_parents
  i In index: 1.
  Caused by error in `purrr::map()`:
  i In index: 1.
  Caused by error in `.f()`:
  ! Floating substituent parent indices must be unique.

  invalid_parent
  i In index: 1.
  Caused by error in `purrr::map()`:
  i In index: 1.
  Caused by error in `.f()`:
  ! Floating substituent parent indices must refer to valid graph vertices.