Paolo Tosco f43677b978 - fixed a problem with thiocarboxylates/thiolates not being perceived ...

as conjugated like their oxygen analogs
- fixed an issue with large numbers of resonance structures exceeding
  the unsigned int allowance
- implemented the uniquify feature properly
- uniquify now defaults to false when using the ResonanceMolSupplier-
  enabled SubstructMatch() version
- the concept of 'laziness' is now clearer
- TODO:
  * remove some debugging info
  * move classes from .h to .cpp
  * SWIG wrappers
  * improve resonance structure sorting for degenerate resonance
    structures
  I will do all of the above ASAP

2015-10-21 20:06:53 +01:00

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