Commits

Author Commit Message Labels Comments Date
Daniel Lowe
Handled case where heteroatoms end with 'a' the same as those that don't
Daniel Lowe
Refactored HW ring processing code in anticipation of detecting ambiguity when positing heteroatoms
Daniel Lowe
Updated glcol word rule to make sure that any ambiguity is detected when assigning out atoms (if it hasn't already beeen detected)
Daniel Lowe
Fixed mistake in test
Daniel Lowe
getOutAtomTakingIntoAccountWhetherSetExplicitly now checks for ambiguity (although in practice radicals will have been assigned/ambiguity reported earlier!)
Daniel Lowe
Unified the places where an atom is chosen for an unlocanted radical and detected ambiguity in all cases
Daniel Lowe
Generalised support for having an o/m/p locant apply to two locants
Daniel Lowe
Locanted charge/unsaturation is now applied to the whole ring assembly rather than the ring to be duplicated. This is more consistent with the handling of other suffixes
Daniel Lowe
Corrected interpretation of sulfonamido and the like from [SH](=O)(=O)N* to *S(=O)(=O)N*
Daniel Lowe
Added recogniton of axial stereochemistry
Daniel Lowe
Use RS stereochemistry to explicitly specify a tetrahedral centre's stereochemistry as not set
Daniel Lowe
More tidying (final static --> static final)
Daniel Lowe
Code tidying
Daniel Lowe
Interpret carbonyldiimidazole as 1,1'-carbonyldiimidazole
Daniel Lowe
Allowed racem as a synonymn of rac/racemic
Daniel Lowe
Improved support for names where the stereochemistry term is in a preceding word to the fragment to which it applies (occurs in some ChemDraw names!)
Daniel Lowe
For succinctness removed reundant labels="none" attributes
Daniel Lowe
OPSIN initialisation messages only shown if debug enabled
Daniel Lowe
Explicitly specify default attachment point on groups that require substituents so that they are not detected as ambiguous
Daniel Lowe
Generalised omitted space corrector to better support esters named using multiplicative nomenclature
Daniel Lowe
Changed semantics of unspecified labelling to mean no labels
Daniel Lowe
Made numbering explicit
Daniel Lowe
More general solution for identifying appropriate atoms to produce lactone e.g. in hydracrylolactone
Daniel Lowe
Removed labels on siloxane
Daniel Lowe
Made labelling explicit
Daniel Lowe
labelled amyl substitutents by analogy to pentyl
Daniel Lowe
Removed "See the DTD for more details" comment
Daniel Lowe
Consistently use Unix line endings and tabs for indenting across all resource files (these preferences also give slightly smaller files)
Daniel Lowe
Use numeric attribute value for long chains with numeric numbering
Daniel Lowe
Detect ambiguity from the addBond attribute
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