chemaxon.fixers

Class RgroupAttachmentFixer

java.lang.Object

chemaxon.fixers.AbstractStructureFixer

chemaxon.fixers.RgroupAttachmentFixer

All Implemented Interfaces:

StructureFixer

public class RgroupAttachmentFixer
extends AbstractStructureFixer

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

Author:

Gyorgy Pirok, Imre Barna, Peter Kovacs (pkovacs84)

Constructor Summary

Constructors

Constructor and Description
RgroupAttachmentFixer()

Method Summary

Methods

Modifier and Type	Method and Description
boolean	fix(StructureCheckerResult result) Fixes one molecule problem identified by the result

Methods inherited from class chemaxon.fixers.AbstractStructureFixer

getDescription, getDescriptor, getName, setDescription, setName

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

RgroupAttachmentFixer

public RgroupAttachmentFixer()

Method Detail

fix

public boolean fix(StructureCheckerResult result)

Description copied from interface: StructureFixer

Fixes one molecule problem identified by the result

Parameters:

result - is an instance of StructureCheckerResult which identifies the problem

Returns:

true if the fix was successful false otherwise