#590 MDLV2000Writer Atom_Atom_Mapping fix

Accepted
closed
nobody
None
master
1
2012-12-12
2012-11-26
No

The MDLV2000Writer assumes the property of the Atom_Atom_Mapping to be of type integer. Whereas this is a correct assumption within the SDFile format, properties are stored as objects and the Atom_Atom_Mapping could be a string as a result. E.g., when a atom id is used (a1) or the AtomContainer had been serialized somehow in between. The patch adds a conditional to cast the property into either a String or Integer. If the value cannot be parsed into an Integer, it gets ignored as it can not be stored according to the file format specifications.

1 Attachments

Discussion

  • John May

    John May - 2012-11-29

    Looks good, simple patch - thanks for including the unit tests

    master-accepted

     
  • John May

    John May - 2012-11-29
    • milestone: Needs_Review --> Accepted
     
  • Egon Willighagen

    • status: open --> closed
     
  • Egon Willighagen

    Applied and pushed.

     

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