Shape TK 3.4.0

As part of the integration of OEToolkits and OEApplications into a single release, the version number of Shape TK has been upgraded to 3.4.0 to make it consistent with that of the ROCS application.

Minor bug fixes

• The following methods now return bool instead of a void:
  • OEShapeOptions.SetCarbonRadius
  • OEShapeOptions.SetRadiiApproximation
  • OEShapeOptions.SetScoreType
  • OEColorOptions.SetMultiplier
  • OEColorOptions.SetScoreType
  • OEAnalyticOptions.SetExpType
  • OEAnalyticOptions.SetProxyGridCutoff
  • OEAnalyticOptions.SetUseProxyGrid
  • OEShapeGridOptions.SetDerivativeType
  • OEShapeGridOptions.SetGridSpacing
  • OEOverlayOptions.SetMaxOptSteps
  • OEROCSOptions.SetConfsPerHit
  • OEROCSOptions.SetMaxHits
  • OEROCSOptions.SetNumBestHits
  • OEROCSOptions.SetPerformPrep
  • OEROCSOptions.SetUseMaxHits

• The explicit Mills-Dean color force fields, OEColorFFType.ExplicitMillsDean and OEColorFFType.ExplicitMillsDeanNoRings, now accurately treat a tertiary amine as a donor and not an acceptor.
• The OEColorForceField.AddColorer method now checks to ensure that the SMARTS patterns added as color do not have a mix of explicit and implicit hydrogen expressions.
• The OEOverlapPrep.Prep and OEAddColorAtoms methods now properly handle color atom assignments for molecules with explicit hydrogens and color SMARTS patterns containing hybridization.