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Changeset [3a7de98c7e3ee0c0510aaf3581359fa9804e88ea] by Mark Rynbeek

Revision 3a7de98c7e3ee0c0510aaf3581359fa9804e88ea, committed by Mark Rynbeek · October 26th, 2010 @ 03:08 PM

SMILES: fix for cases like C=1CCCCC=1; the default bond order for the ring closure is single (or aromatic) but may be specified by including a bond symbol between the atom and the closure number.
http://github.com/kemia/kemia/commit/3a7de98c7e3ee0c0510aaf3581359f...

2 changed files

  • M kemia/io/smiles/smiles_parser.js
  • M kemia/layout/layout_demo.html