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#1245 Atomic Numbers from CML default to 1

cdk-1.4.x
closed
nobody
5
2013-05-25
2012-08-01
John May
No
  • Using the CMLReader sets all atomic numbers on IAtom's to 1.
  • Atom typing also doesn't fix.
  • Attached example that reads as atomic number 1 (incase it's due to the input)
  • I suspect it could be due to missing mass number on the input

Discussion

  • John May
    John May
    2012-08-01

    CML

     
    Attachments
  • John May
    John May
    2012-08-01

    I will investigate more tomorrow

     
  • John May
    John May
    2013-05-25

    • status: open --> closed
     
  • John May
    John May
    2013-05-25

    Fixed by patch