PartialFilledStructureMerger (cdk 2.9 API)

java.lang.Object
- org.openscience.cdk.structgen.stochastic.PartialFilledStructureMerger

```
public class PartialFilledStructureMerger
extends Object
```
Randomly generates a single, connected, correctly bonded structure from a number of fragments.
Assign hydrogen counts to each heavy atom. The hydrogens should not be in the atom pool but should be assigned implicitly to the heavy atoms in order to reduce computational cost.

Author:

steinbeck

Source code:
main

Belongs to CDK module:
structgen

Created on:

2001-09-04

Constructor Summary

Constructors
Constructor Description

PartialFilledStructureMerger()
Constructor for the PartialFilledStructureMerger object.

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`IAtomContainer`	`generate(IAtomContainerSet atomContainers)`	Randomly generates a single, connected, correctly bonded structure from a number of fragments.

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Constructor Detail
  - PartialFilledStructureMerger
```
public PartialFilledStructureMerger()
```
    Constructor for the PartialFilledStructureMerger object.
- Method Detail
  - generate
```
public IAtomContainer generate(IAtomContainerSet atomContainers)
                        throws CDKException
```
    Randomly generates a single, connected, correctly bonded structure from a number of fragments. IMPORTANT: The AtomContainers in the set must be connected. If an AtomContainer is disconnected, no valid result will be formed
    
    Parameters:
    
    atomContainers - The fragments to generate for.
    
    Returns:
    
    The newly formed structure.
    
    Throws:
    
    CDKException - No valid result could be formed.