backup before messing with chirality
backup commit
remove some compile problems
backup
Fixes #317
fix MMFF atom-type initialization problem with Hs
ChemReactionUtils: remove unused/specialized functions from interface

- specialized utils functions only used in the pgsql cartridge were removed
  from the interface
Merge pull request #319 from NadineSchneider/master

ChemReactionUtils: remove unused/specialized functions from interface
Fix defaults in ReactionFp parameter struct
Merge pull request #321 from NadineSchneider/master

Fix defaults in ReactionFp parameter struct
Merge remote-tracking branch 'origin/master' into NewCanonicalization_24July2014
better error reporting; but still not working