SF patch 3571250 (CMLReader fix/test) by John May #30

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rwst commented Sep 27, 2012

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johnmay added some commits Sep 24, 2012

@johnmay @rwst johnmay Implementing fix for bugs 3557907 and 3553328 3557907: Previously onl…
…y the dictRef attribute of bondStereo was supported. This patch adds support for the 'content/text' of the bondStereo element to be set. This patch allows the bondStereo to be added from the charContent when the end of the element is detected. 3553328: Added support for CML files missing atomic number information. As the starting atom is a Hydrogen in the passer if no atomic number is provided the atomic number will default to '1'. This fix checks if the atom 'hasAtomicNumber' before the atom data is stored - if there is no atomic number specified but the symbol has been the atomic number is looked up in the periodic table (as per Atom constructor).

Corrected bug

Signed-off-by: Ralf Stephan <ralf@ark.in-berlin.de>
6090516
@johnmay @rwst johnmay Added unit tests for two CML bugs - both use the same molecule to tes…
…t - 3553328: Atoms missing explicit atomic number default to 1. - 3557907: Only support for bond stereo with attribute dictRef

Signed-off-by: Ralf Stephan <ralf@ark.in-berlin.de>
0b61b34

rwst closed this Oct 27, 2012

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