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See:
Description
Interface Summary | |
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StructureFixer | A StructureFixer can fix a Molecule problem identified by a
StructureCheckerResult |
Class Summary | |
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AbsoluteStereoFixer | A StructureFixer implementation which removes absolute stereo property from the molecule. |
AbstractStructureFixer | This class is the default abstract implementation of StructureFixer interface |
CleanFixer | A descendant of AbstractStructureFixer which cleans the molecule in
2d |
ContractGroupFixer | A descendant of AbstractStructureFixer which contracts the abbreviated groups in the molecule |
ConvertAliasToGroupFixer | A descendant of AbstractStructureFixer which converts the aliases to
contracted abbreviated groups in the molecule |
ConvertPseudoToGroupFixer | A descendant of AbstractStructureFixer which converts the pseudo
informations to contracted abbreviated groups in the molecule |
ConvertToAtomFixer | A descendant of AbstractStructureFixer which converts the aliases to
atom with atom number contained in the alias information |
ConvertToCarbonFixer | A descendant of AbstractStructureFixer which converts pseudo atoms to
carbon atoms |
CrossedDoubleBondFixer | A descendant of AbstractStructureFixer which converts crossed double
bond to wiggly |
ExpandGroupFixer | A descendant of AbstractStructureFixer which expands all abbreviated groups in the molecule |
IsotopeFixer | A descendant of AbstractStructureFixer which converts the isotopes to non isotope atoms |
MapMoleculeFixer | A descendant of AbstractStructureFixer which maps the atoms of the molecule incrementally |
MapReactionFixer | A descendant of AbstractStructureFixer which maps the reaction with AutoMapper |
MetalloceneFixer | A descendant of AbstractStructureFixer which converts a single incorrectly drawn
metallocene into multicenter based coordinate bond representation. |
PartialCleanFixer | Partial clean |
RearomatizeFixer | A descendant of AbstractStructureFixer which rearomatize the molecule |
RemoveAtomFixer | A descendant of AbstractStructureFixer which removes the atoms of the
molecule signed in the result |
RemoveAtomMapFixer | A descendant of AbstractStructureFixer which removes the atom maps from the molecule |
RemoveAtomValueFixer | A descendant of AbstractStructureFixer which removes the atom value from the molecule |
RemoveAttachedDataFixer | A descendant of AbstractStructureFixer which removes the attached data from the molecule |
RemoveBondFixer | A descendant of AbstractStructureFixer which removes the bonds of the molecule
signed by the result |
RemoveRadicalFixer | A descendant of AbstractStructureFixer which removes the radicals from the
atoms of the molecule |
UngroupFixer | A descendant of AbstractStructureFixer which ungroups all abbreviated groups
in the molecule |
ValenceFixer | A descendant of AbstractStructureFixer which fixes valence problem in the
molecule if it is possible with removing explicit hydrogens or by adding charge |
WigglyDoubleBondFixer | A descendant of AbstractStructureFixer which sets wiggly bond to
crossed double bond |
Annotation Types Summary | |
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Fixes | This annotation is used to annotate the StructureFixer implementations which
StructureCheckerErrorType can be fixed by the current fixer |
FixesExternal | This annotation is used to annotate the StructureFixer implementations which
error codes (identified by a unqie String ) can be fixed by the current fixer |
Structure fixers can be used to fix problems identified by structure checker instances.
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