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org.xmlcml.simplecml
Class SimpleBond  

java.lang.Object
  org.xmlcml.simplecml.SimpleBond

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public class SimpleBond

extends java.lang.Object

SimpleBond manages a subset of CML functionality for atoms. It lacks many of the more sophisticated setters and getters and exposes the bond children directly (e.g. order). It should only be used with SimpleMolecule and SimpleAtom.

Typical code:

	SimpleAtom bond = new SimpleBond();
	bond.atomRef1 = atom23;
	bond.atomRef2 = atom25;
	bond.order = "S";
	

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Field Summary
SimpleAtom	atomRef1           first atom in bond: default=null
SimpleAtom	atomRef2           second atom in bond: default=null
(package private)  java.lang.String	atomRefS1           id for first atom in bond: default=null
(package private)  java.lang.String	atomRefS2           id for second atom in bond: default=null
java.lang.String	id           id for bond default=null
java.lang.String	namespace           namespace
java.lang.String	order           order of bond ("S", "D", etc.): default=null
java.lang.String	stereo           stereo for bond ("W", "H", etc.): default=null

 

Constructor Summary

SimpleBond()           constructs a SimpleBond with default child values

SimpleBond(java.lang.String namespace)           constructs a SimpleBond with default child values and namespace

 

Method Summary
java.lang.String	toCML(java.lang.String prefix)           well-formed CML for a bond; uninitialised children are not included
java.lang.String	toString()           diagnostic string for a bond

 

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

 

Field Detail

id

public java.lang.String id

id for bond default=null

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atomRefS1

java.lang.String atomRefS1

id for first atom in bond: default=null

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atomRefS2

java.lang.String atomRefS2

id for second atom in bond: default=null

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atomRef1

public SimpleAtom atomRef1

first atom in bond: default=null

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atomRef2

public SimpleAtom atomRef2

second atom in bond: default=null

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order

public java.lang.String order

order of bond ("S", "D", etc.): default=null

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stereo

public java.lang.String stereo

stereo for bond ("W", "H", etc.): default=null

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namespace

public java.lang.String namespace

namespace

Constructor Detail

SimpleBond

public SimpleBond()

constructs a SimpleBond with default child values

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SimpleBond

public SimpleBond(java.lang.String namespace)

constructs a SimpleBond with default child values and namespace

Method Detail

toString

public java.lang.String toString()

diagnostic string for a bond

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toCML

public java.lang.String toCML(java.lang.String prefix)

well-formed CML for a bond; uninitialised children are not included

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