Package chemaxon.fixers
Class RgroupAttachmentFixer
java.lang.Object
chemaxon.fixers.AbstractStructureFixer
chemaxon.fixers.RgroupAttachmentFixer
- All Implemented Interfaces:
StructureFixer
A descendant of
AbstractStructureFixer
that can fix attachment errors in R-group definition members.
Errors are fixed according to the corresponding R-atoms, provided that they have the same number of bonds
with the same bond types.
R-group definition members are fixed as follows:
- superfluous attachment points are removed;
- missing attachment points are added if their positions can be determined unambiguously (with respect to valences);
- the type of attachment bonds are set according to the bonds of the R-atoms.
- Since:
- Marvin 5.6
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Constructor Summary
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Method Summary
Modifier and TypeMethodDescriptionboolean
fix
(StructureCheckerResult result) Fixes one molecule problem identified by the resultMethods inherited from class chemaxon.fixers.AbstractStructureFixer
getDescription, getDescriptor, getName, setDescription, setName
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Constructor Details
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RgroupAttachmentFixer
public RgroupAttachmentFixer()
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Method Details
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fix
Description copied from interface:StructureFixer
Fixes one molecule problem identified by the result- Parameters:
result
- is an instance ofStructureCheckerResult
which identifies the problem- Returns:
- true if the fix was successful false otherwise
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