chemaxon.fixers

Class DistanceBasedMetalloceneFixer

java.lang.Object

chemaxon.fixers.AbstractStructureFixer

chemaxon.fixers.DistanceBasedMetalloceneFixer

All Implemented Interfaces:

StructureFixer

public class DistanceBasedMetalloceneFixer
extends AbstractStructureFixer

A descendant of AbstractStructureFixer which converts incorrectly drawn metallocenes into multicenter based coordinate bond representation. The upper and lower bound of the "sandwich" structure will be determined by the euclidean distance from the metal ion.

Since:

Marvin 5.4

Version:

5.9

Author:

Attila Szabo

Constructor Summary

Constructors

Constructor and Description
DistanceBasedMetalloceneFixer()

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

DistanceBasedMetalloceneFixer

public DistanceBasedMetalloceneFixer()

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