java.lang.Object
- com.actelion.research.chem.properties.complexity.ContainerFragBondsSolutions

public class ContainerFragBondsSolutions
extends java.lang.Object

Field Summary

Fields
Modifier and Type	Field	Description
`protected static int`	`DEFAULT_CAPACITY`
`static boolean`	`ELUSIVE`
`protected static double`	`FACTOR_CAPACITY`
`protected static int`	`MAX_NUM_BONDS`
`protected static int`	`START_CAPACITY`

Constructor Summary

Constructors
Constructor Description

ContainerFragBondsSolutions(int bits, int totalCapacity)
Fragments are represented as bit arrays.

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`boolean`	`addFacultative(IBitArray f)`	The fragment is added if it is not already in the hash map.
`void`	`calculateHash(IBitArray f)`
`IBitArray`	`get()`
`int`	`getAvailable()`
`int`	`getBitsSet(IBitArray f)`
`int`	`getBondsMolecule()`
`int`	`getCapacity()`
`java.util.List<IBitArray>`	`getList(int bonds)`
`int`	`getMaximumCapacityBondsInFragment()`
`int`	`getMaximumNumberBondsInMolecule()`
`int`	`getSizeBinaryArray()`
`int`	`getTotalSizeResults()`
`IBitArray`	`getWithCopy(IBitArray orign)`
`void`	`reset()`
`void`	`reset(int bits)`	Clears the hash map with the records that contain the given number of bits set.
`void`	`setBondsMolecule(int bondsMolecule)`

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

- Field Detail
  - ELUSIVE
```
public static boolean ELUSIVE
```
  - FACTOR_CAPACITY
```
protected static double FACTOR_CAPACITY
```
  - START_CAPACITY
```
protected static int START_CAPACITY
```
  - DEFAULT_CAPACITY
```
protected static int DEFAULT_CAPACITY
```
  - MAX_NUM_BONDS
```
protected static int MAX_NUM_BONDS
```
- Constructor Detail
  - ContainerFragBondsSolutions
```
public ContainerFragBondsSolutions(int bits,
                                   int totalCapacity)
```
    Fragments are represented as bit arrays. Each bit represents a bond. The index of the bit equals the index of the bond in Molecule
    
    Parameters:
    
    bits - the maximum number of bonds in the Molecule that can be stored.
    
    totalCapacity - this is the capacity for all records. Memory is acquired until the maximum capacity is reached.
- Method Detail
  - addFacultative
```
public boolean addFacultative(IBitArray f)
```
    The fragment is added if it is not already in the hash map.
    
    Parameters:
    
    f -
    
    Returns:
  - getBitsSet
```
public int getBitsSet(IBitArray f)
```
  - getWithCopy
```
public IBitArray getWithCopy(IBitArray orign)
```
  - getList
```
public java.util.List<IBitArray> getList(int bonds)
```
  - getBondsMolecule
```
public int getBondsMolecule()
```
    Returns:
    
    the bondsMolecule
  - setBondsMolecule
```
public void setBondsMolecule(int bondsMolecule)
```
    Parameters:
    
    bondsMolecule - the bondsMolecule to set
  - calculateHash
```
public void calculateHash(IBitArray f)
```
  - get
```
public IBitArray get()
```
  - getSizeBinaryArray
```
public int getSizeBinaryArray()
```
  - getTotalSizeResults
```
public int getTotalSizeResults()
```
  - reset
```
public void reset()
```
  - reset
```
public void reset(int bits)
```
    Clears the hash map with the records that contain the given number of bits set.
    
    Parameters:
    
    bits -
  - getMaximumCapacityBondsInFragment
```
public int getMaximumCapacityBondsInFragment()
```
    Returns:
    
    the maximumNumberBondsInFragment
  - getCapacity
```
public int getCapacity()
```
  - getAvailable
```
public int getAvailable()
```
  - getMaximumNumberBondsInMolecule
```
public int getMaximumNumberBondsInMolecule()
```

Class ContainerFragBondsSolutions

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

ELUSIVE

FACTOR_CAPACITY

START_CAPACITY

DEFAULT_CAPACITY

MAX_NUM_BONDS

Constructor Detail

ContainerFragBondsSolutions

Method Detail

addFacultative

getBitsSet

getWithCopy

getList

getBondsMolecule

setBondsMolecule

calculateHash

get

getSizeBinaryArray

getTotalSizeResults

reset

reset

getMaximumCapacityBondsInFragment

getCapacity

getAvailable

getMaximumNumberBondsInMolecule