1 package org.jmol.util;
2 
3 
4 import javajs.util.P3;
5 
6 /**
7  * Just the bare minimum for CIP, and non-BioSMILES
8  */
9 public interface SimpleNode {
10 
setCIPChirality(int rs)11   void setCIPChirality(int rs);
12 
getIsotopeNumber()13   int getIsotopeNumber();
14 
getAtomName()15   String getAtomName();
16 
17   /**
18    * Get the total number of bonds, including hydrogen bonds.
19    *
20    * @return number of bonds
21    */
getBondCount()22   int getBondCount();
23 
24   /**
25    * Get the total number of covalent bonds, thus not including hydrogen bonds.
26    *
27    * @return number of bonds
28    */
getCovalentBondCount()29   int getCovalentBondCount();
30 
31   /**
32    * Get the bond array, including hydrogen bonds.
33    *
34    * @return number of bonds
35    */
getEdges()36   SimpleEdge[] getEdges();
37 
38   /**
39    *
40    * @return the atomic number for this aotm
41    */
getElementNumber()42   int getElementNumber();
43 
44   /**
45    *
46    * @return the formal charge for this atom
47    */
getFormalCharge()48   int getFormalCharge();
49 
50   /**
51    *
52    * @return the unique ID number associated with this atom (which in Jmol is its position in the atoms[] array
53    */
getIndex()54   int getIndex();
55 
56   /**
57    *
58    * @return the mass or, if specified, the mass number
59    */
getMass()60   float getMass();
61 
62   /**
63    *
64    * @return the sum of the bond orders for this atom
65    */
getValence()66   int getValence();
67 
68   /**
69    *
70    * @return the position of this atom
71    */
getXYZ()72   P3 getXYZ();
73 
74 
75 }
76