Package org.openscience.cdk.isomorphism

Class TransformOp

java.lang.Object

org.openscience.cdk.isomorphism.TransformOp

All Implemented Interfaces:

Comparable<TransformOp>

public final class TransformOp
extends Object
implements Comparable<TransformOp>

A transform operation (TransformOp) describes a change to be made to some mapped set of indexed atoms (0 ≤ idx < N). An op-code has a type and then up to 4 additional integer parameters name a, b, c, d.
What these parameters mean depend on the type and summarised below:

OpCode parameter types

Type	Param a	Param b	Param c	Param d
NewAtom	idx	atomic number	impl H count	is aromatic?
NewBond	idx	idx	bond order
DeleteAtom	idx
DeleteBond	idx	idx
BondOrder	idx	idx	bond order
Mass	idx	isotope mass
Element	idx	atomic number
Aromatic	idx	is aromatic?
Charge	idx	formal charge
ImplH	idx	impl H
AdjustH	idx	+/- impl H change
MoveH	idx	idx
Tetrahedral	idx1	idx2	idx3	idx4
DbTogether	idx1	idx2	idx3	idx4
DbOpposite	idx1	idx2	idx3	idx4

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static enum	TransformOp.Type

Constructor Summary

Constructors

Constructor	Description
TransformOp(TransformOp.Type type, int a)
TransformOp(TransformOp.Type type, int a, int b)
TransformOp(TransformOp.Type type, int a, int b, int c)
TransformOp(TransformOp.Type type, int a, int b, int c, int d)
TransformOp(TransformOp.Type type, TransformOp op)

Method Summary

Modifier and Type	Method	Description
int	argA()
int	argB()
int	argC()
int	argD()
int	compareTo(TransformOp that)
boolean	equals(Object o)
int	hashCode()
String	toString()
TransformOp.Type	type()

Methods inherited from class java.lang.Object

clone, finalize, getClass, notify, notifyAll, wait, wait, wait

Constructor Details

TransformOp

public TransformOp(TransformOp.Type type,
 int a,
 int b,
 int c,
 int d)

TransformOp

public TransformOp(TransformOp.Type type,
 int a,
 int b,
 int c)

TransformOp

public TransformOp(TransformOp.Type type,
 int a,
 int b)

TransformOp

public TransformOp(TransformOp.Type type,
 int a)

TransformOp

public TransformOp(TransformOp.Type type,
 TransformOp op)

Method Details

type

public TransformOp.Type type()

argA

public int argA()

argB

public int argB()

argC

public int argC()

argD

public int argD()

equals

public boolean equals(Object o)

Overrides:

equals in class Object

hashCode

public int hashCode()

Overrides:

hashCode in class Object

compareTo

public int compareTo(TransformOp that)

Specified by:

compareTo in interface Comparable<TransformOp>

toString

public String toString()

Overrides:

toString in class Object