1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233
|
/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 1997-2007 Christoph Steinbeck <steinbeck@users.sf.net>
*
* Contact: cdk-devel@lists.sourceforge.net
*
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* as published by the Free Software Foundation; either version 2.1
* of the License, or (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU Lesser General Public License for more details.
*
* You should have received a copy of the GNU Lesser General Public License
* along with this program; if not, write to the Free Software
* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
*/
package org.openscience.cdk;
import org.openscience.cdk.interfaces.IChemModel;
import org.openscience.cdk.interfaces.IChemObjectChangeEvent;
import org.openscience.cdk.interfaces.IChemObjectListener;
import org.openscience.cdk.interfaces.IChemSequence;
import java.io.Serializable;
import java.util.Iterator;
/**
* A sequence of ChemModels, which can, for example, be used to
* store the course of a reaction. Each state of the reaction would be
* stored in one ChemModel.
*
* @cdk.module data
* @cdk.githash
*
* @cdk.keyword animation
* @cdk.keyword reaction
*/
public class ChemSequence extends ChemObject implements Serializable, IChemSequence, IChemObjectListener, Cloneable
{
/**
* Determines if a de-serialized object is compatible with this class.
*
* This value must only be changed if and only if the new version
* of this class is incompatible with the old version. See Sun docs
* for <a href=http://java.sun.com/products/jdk/1.1/docs/guide
* /serialization/spec/version.doc.html>details</a>.
*/
private static final long serialVersionUID = 2199218627455492000L;
/**
* Array of ChemModels.
*/
protected IChemModel[] chemModels;
/**
* Number of ChemModels contained by this container.
*/
protected int chemModelCount;
/**
* Amount by which the chemModels array grows when elements are added and
* the array is not large enough for that.
*/
protected int growArraySize = 4;
/**
* Constructs an empty ChemSequence.
*/
public ChemSequence()
{
chemModelCount = 0;
chemModels = new ChemModel[growArraySize];
}
/**
* Adds an chemModel to this container.
*
* @param chemModel The chemModel to be added to this container
*
* @see #getChemModel
*/
public void addChemModel(IChemModel chemModel)
{
if (chemModelCount + 1 >= chemModels.length)
{
growChemModelArray();
}
chemModels[chemModelCount] = chemModel;
chemModelCount++;
chemModel.addListener(this);
notifyChanged();
}
/**
* Remove a ChemModel from this ChemSequence.
*
* @param pos The position of the ChemModel to be removed.
*/
public void removeChemModel(int pos) {
chemModels[pos].removeListener(this);
for (int i = pos; i < chemModelCount - 1; i++) {
chemModels[i] = chemModels[i + 1];
}
chemModels[chemModelCount - 1] = null;
chemModelCount--;
notifyChanged();
}
/**
* Returns an Iterable to ChemModels in this container.
*
* @return The Iterable to ChemModels in this container
* @see #addChemModel
*/
public Iterable<IChemModel> chemModels() {
return new Iterable<IChemModel>(){
public Iterator<IChemModel> iterator() {
return new ChemModelIterator();
}
};
}
/**
* The inner Iterator class.
*
*/
private class ChemModelIterator implements Iterator<IChemModel> {
private int pointer = 0;
public boolean hasNext() {
return pointer < chemModelCount;
}
public IChemModel next() {
return chemModels[pointer++];
}
public void remove() {
removeChemModel(--pointer);
}
}
/**
*
* Returns the ChemModel at position <code>number</code> in the
* container.
*
* @param number The position of the ChemModel to be returned.
* @return The ChemModel at position <code>number</code>.
*
* @see #addChemModel
*/
public IChemModel getChemModel(int number)
{
return chemModels[number];
}
/**
* Grows the chemModel array by a given size.
*
* @see growArraySize
*/
protected void growChemModelArray()
{
ChemModel[] newchemModels = new ChemModel[chemModels.length + growArraySize];
System.arraycopy(chemModels, 0, newchemModels, 0, chemModels.length);
chemModels = newchemModels;
}
/**
* Returns the number of ChemModels in this Container.
*
* @return The number of ChemModels in this Container
*/
public int getChemModelCount()
{
return this.chemModelCount;
}
public String toString() {
StringBuffer buffer = new StringBuffer(32);
buffer.append("ChemSequence(#M=");
buffer.append(chemModelCount);
if (chemModelCount > 0) {
buffer.append(", ");
for (int i=0; i<chemModelCount; i++) {
buffer.append(chemModels[i].toString());
}
}
buffer.append(')');
return buffer.toString();
}
public Object clone() throws CloneNotSupportedException {
ChemSequence clone = (ChemSequence)super.clone();
// clone the chemModels
clone.chemModelCount = getChemModelCount();
clone.chemModels = new ChemModel[clone.chemModelCount];
for (int f = 0; f < clone.chemModelCount; f++) {
clone.chemModels[f] = (ChemModel)((ChemModel)chemModels[f]).clone();
}
return clone;
}
/**
* Called by objects to which this object has
* registered as a listener.
*
*@param event A change event pointing to the source of the change
*/
public void stateChanged(IChemObjectChangeEvent event)
{
notifyChanged(event);
}
}
|