MolEncoder (leet-chem-deeplearning 0.0.5 API)

```
public class MolEncoder
extends Object
```
Format: Each atom is encoded with the same information: 1. One-Hot Atom Information about bonds to all n other atoms. For pair of atom i and j: if i and j are the same, or if i and j are not connected: all zeros otherwise: 1.

Constructors
Constructor	Description
`MolEncoder()`

All Methods Static Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`BitSet`	`encodeAtom(int zi)`
`BitSet`	`encodeAtomWithConnections(int zi, int[] permutation)`
`BitSet`	`encodeConnection(int zi, int zj)`
`List<BitSet>`	`encodeMolecule()`
`List<BitSet>`	`encodeMolecule(int[] permutation)`
`int`	`getAtomEncodingLength()`
`int`	`getConnectionEncodingLengthPerConnection()`
`int`	`getMoleculeEncodingLength()`
`static void`	`main(String[] args)`
`static BitSet`	`multiHot(int[] set, int length)`
`static BitSet`	`oneHot(int set, int length)`
`static void`	`print(List<BitSet> bs, int lengthPerBitSet)`
`void`	`setMolecule(com.actelion.research.chem.StereoMolecule m)`

public void setMolecule(com.actelion.research.chem.StereoMolecule m)

public List<BitSet> encodeMolecule(int[] permutation)

public int getMoleculeEncodingLength()

public int getConnectionEncodingLengthPerConnection()

public BitSet encodeAtomWithConnections(int zi,
                                        int[] permutation)

public BitSet encodeConnection(int zi,
                               int zj)

public static BitSet oneHot(int set,
                            int length)

public static BitSet multiHot(int[] set,
                              int length)

public static void print(List<BitSet> bs,
                         int lengthPerBitSet)

public static void main(String[] args)

Class MolEncoder