Text.Molfile.Parser.V3000

Definitions

beginV3 : (s : String) -> {auto 0 _ : NonEmpty (unpack s)} -> RExp True

  Recognizes a V3000 `BEGIN` statement

Totality: total
Visibility: export

v3000 : RExp True

  Recognizes a V3000 version line followed by
  `"M  V30 BEGIN CTAB"` and

Totality: total
Visibility: export

endV3 : (s : String) -> {auto 0 _ : NonEmpty (unpack s)} -> RExp True

  Recognizes a V3000 `END` statement

Totality: total
Visibility: export

countsExpr : RExp True

Totality: total
Visibility: export

bondExprV3 : RExp True

Totality: total
Visibility: export

coordinatesV3 : RExp True

  Expression for V3000 coordinates.

Totality: total
Visibility: export

newV3 : CSTCK q => ByteString -> F1 q CST

  Reads the number of atoms from the given byte string
  and sets up a new (mutable) graph accodringly.

Totality: total
Visibility: export

bondsV3 : CSTCK q => ByteString -> F1 q CST

  Writes the number of bonds to the corresponding field on the stack.

Totality: total
Visibility: export

indexV3 : CSTCK q => ByteString -> F1 q CST

  Reads the number of atoms from the given byte string
  and sets up a new (mutable) graph accodringly.

Totality: total
Visibility: export

beginBondV3 : CSTCK q => F1 q CST

Totality: total
Visibility: export

checkBondV3 : CSTCK q => F1 q CST

Totality: total
Visibility: export

coordsV3 : CSTCK q => ByteString -> F1 q CST

  Converts a bytestring into a set of coordinates and
  writes it to the current atom.

Totality: total
Visibility: export

bondV3 : CSTCK q => ByteString -> F1 q CST

Totality: total
Visibility: export

sup : CSTCK q => ByteString -> F1 q CST

Totality: total
Visibility: export

mv30prefix : Nat -> RExp b -> CST -> (RExp True, Step q CSz CSTCK)

  Recognizes and drops a fixed number of V3000 lines, increasing
  the line count accordingly and setting the column to `6`
  (right after the `M  V30` prefix). Constant `mv30` must not be
  part of the given regular expression.

Totality: total
Visibility: export

emptyEnd : List (RExp True, Step q CSz CSTCK)

Totality: total
Visibility: export

prop3 : List (RExp True, Step q CSz CSTCK)

  Recognizers for additional atom properties.
  
  Most of these are currently not handled, and some
  are not yet supported.
  
  TODO: At least handle (and possibly ignore) the following props:
        `Rgroups`, `ATTCHORD`, `CLASS`, `SEQID`, `SEQNAME`
  
  TODO: CHG, RAD, and CFG (for bonds) should be case-insensitive

Totality: total
Visibility: export

bondProp3 : List (RExp True, Step q CSz CSTCK)

Totality: total
Visibility: export

rest3 : List (RExp True, Step q CSz CSTCK)

  Recognizes (and currently discards) all remaining lines starting
  with `M  V30` until `M  END` is encountered.

Totality: total
Visibility: export

sgroup : List (RExp True, Step q CSz CSTCK)

Totality: total
Visibility: export