PKANode (Ambit 2 4.0.1-SNAPSHOT API)

java.lang.Object
- ambit2.descriptors.PKANode

```
public class PKANode
extends Object
```

Field Summary

Fields
Modifier and Type	Field and Description
`protected int`	`id`
`protected PKANode`	`nodeNo`
`protected PKANode`	`nodeYes`
`protected int`	`parent`
`protected double`	`pka`
`protected double`	`pka_range`
`protected boolean`	`present`
`protected String`	`smarts`
`protected static Hashtable<String,SmartsPatternAmbit>`	`smartsPattern`
`protected boolean`	`terminal`

Constructor Summary

Constructors
Constructor and Description

PKANode()

Constructors
Constructor and Description
`PKANode()`

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method and Description
`boolean`	`find(org.openscience.cdk.interfaces.IAtomContainer ac)`
`int`	`getId()`
`PKANode`	`getNodeNo(boolean smartsPresent)`
`int`	`getParent()`
`double`	`getPka_range()`
`double`	`getPka()`
`String`	`getSmarts()`
`boolean`	`isPresent()`
`boolean`	`isTerminal()`
`void`	`setId(int id)`
`void`	`setNode(boolean smartsPresent, PKANode node)`
`void`	`setParent(int parent)`
`void`	`setPka_range(double pka_range)`
`void`	`setPka(double pka)`
`void`	`setPresent(boolean present)`
`void`	`setSmarts(String smarts)`
`void`	`setTerminal(boolean terminal)`
`String`	`toString()`

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

Field Detail

smartsPattern

protected static Hashtable<String,SmartsPatternAmbit> smartsPattern

id
```
protected int id
```

parent
```
protected int parent
```

pka
```
protected double pka
```

pka_range
```
protected double pka_range
```

present
```
protected boolean present
```

terminal
```
protected boolean terminal
```

nodeYes
```
protected PKANode nodeYes
```

nodeNo
```
protected PKANode nodeNo
```

smarts
```
protected String smarts
```

Constructor Detail
- PKANode
```
public PKANode()
```

Method Detail

setNode

public void setNode(boolean smartsPresent,
                    PKANode node)

getNodeNo

public PKANode getNodeNo(boolean smartsPresent)

isTerminal
```
public boolean isTerminal()
```
Returns:

true if the node is terminal

setTerminal

public void setTerminal(boolean terminal)

getId
```
public int getId()
```

setId
```
public void setId(int id)
```

getParent
```
public int getParent()
```

setParent
```
public void setParent(int parent)
```

getPka
```
public double getPka()
```

setPka
```
public void setPka(double pka)
```

getPka_range
```
public double getPka_range()
```

setPka_range

public void setPka_range(double pka_range)

isPresent
```
public boolean isPresent()
```

setPresent

public void setPresent(boolean present)

getSmarts
```
public String getSmarts()
```

setSmarts
```
public void setSmarts(String smarts)
```

toString
```
public String toString()
```
Overrides:

toString in class Object

find

public boolean find(org.openscience.cdk.interfaces.IAtomContainer ac)
             throws SMARTSException

Throws:: SMARTSException

Class PKANode

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

smartsPattern

id

parent

pka

pka_range

present

terminal

nodeYes

nodeNo

smarts

Constructor Detail

PKANode

Method Detail

setNode

getNodeNo

isTerminal

setTerminal

getId

setId

getParent

setParent

getPka

setPka

getPka_range

setPka_range

isPresent

setPresent

getSmarts

setSmarts

toString

find