js-ojus/oct.java

Issues

• Duplicate code: aromaticity determination

  #17 opened 12 years ago by js-ojus
  0

• How many times to reorder atoms during normalisation?

  #14 opened 12 years ago by js-ojus
  1

• Ring detection logic overlooks spiro configurations

  #13 opened 12 years ago by js-ojus
  1

• One spurious ring in the detection of rings of double adamantane

  #12 opened 12 years ago by js-ojus
  0

• core.Atom#inRingOfSizeAtLeast(int) has boundary value problem (>)

  #11 opened 12 years ago by js-ojus
  0

• `core.Ring#hashCode()` does not try hard enough to avoid collisions.

  #10 opened 12 years ago by js-ojus
  1

• Removing a linker atom or a linker bond in a molecule does not re-analyse the molecule

  #9 opened 12 years ago by js-ojus
  1

• Rename `MolParser` to `MolReader`

  #8 opened 12 years ago by js-ojus
  0

• Replace `NotFoundException` with `NoSuchElementException`

  #7 opened 12 years ago by js-ojus
  0

• oct.common.Constants can be instantiated

  #6 opened 12 years ago by js-ojus
  0

• Make SdfIterator more general

  #5 opened 12 years ago by js-ojus
  0

• Ring#complete can utilise Molecule#_bondBetween

  #1 opened 12 years ago by js-ojus
  0

• Adjusting bond order does not perform validations

  #4 opened 12 years ago by js-ojus
  0

• Atoms do not validate number of bonds with their valence

  #3 opened 12 years ago by js-ojus
  0

• Provision for joining two molecules

  #2 opened 12 years ago by js-ojus
  0