chemaxon.fixers

Class ConvertToIonicFormFixer

java.lang.Object

chemaxon.fixers.AbstractStructureFixer

chemaxon.fixers.ConvertToIonicFormFixer

All Implemented Interfaces:

StructureFixer

@PublicAPI
public class ConvertToIonicFormFixer
extends AbstractStructureFixer

A descendant of AbstractStructureFixer which converts the incorrectly drawn (connected to bond, no charge) covalent counter ion representation into ionic form.

Since:

Marvin 5.4

Version:

5.12

Author:

Attila Szabo

Constructor Summary

Constructors

Constructor and Description
ConvertToIonicFormFixer()

Method Summary

Modifier and Type	Method and Description
boolean	fix(StructureCheckerResult result) Checker results contain atoms from the alkali metal and alkaline earth metal groups and their ionic counterparts of N, O, S atoms.

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

ConvertToIonicFormFixer

public ConvertToIonicFormFixer()

Method Detail

fix

public boolean fix(StructureCheckerResult result)

Checker results contain atoms from the alkali metal and alkaline earth metal groups and their ionic counterparts of N, O, S atoms. The fix removes the bonds between them and adds charges to the atoms involved.

Parameters:

result - results from checker

Returns:

true if the fix was successful; the molecule in result is changed