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package ext.edu.ucsf.rbvi.strucviz2; |
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import jalview.ws.HttpClientUtils; |
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import java.awt.Color; |
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import java.io.BufferedReader; |
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import java.io.File; |
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import java.io.IOException; |
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import java.io.InputStream; |
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import java.io.InputStreamReader; |
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import java.nio.file.Paths; |
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import java.util.ArrayList; |
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import java.util.Collection; |
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import java.util.HashMap; |
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import java.util.List; |
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import java.util.Map; |
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|
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import org.apache.http.NameValuePair; |
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import org.apache.http.message.BasicNameValuePair; |
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import org.slf4j.Logger; |
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import org.slf4j.LoggerFactory; |
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import ext.edu.ucsf.rbvi.strucviz2.StructureManager.ModelType; |
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import ext.edu.ucsf.rbvi.strucviz2.port.ListenerThreads; |
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|
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| 5.7% |
Uncovered Elements: 383 (406) |
Complexity: 108 |
Complexity Density: 0.4 |
|
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public class ChimeraManager |
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{ |
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private static final int REST_REPLY_TIMEOUT_MS = 15000; |
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|
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private static final int CONNECTION_TIMEOUT_MS = 100; |
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|
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private static final boolean debug = false; |
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|
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private int chimeraRestPort; |
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|
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private Process chimera; |
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|
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private ListenerThreads chimeraListenerThread; |
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|
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private Map<Integer, ChimeraModel> currentModelsMap; |
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|
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private Logger logger = LoggerFactory |
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.getLogger(ext.edu.ucsf.rbvi.strucviz2.ChimeraManager.class); |
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|
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private StructureManager structureManager; |
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|
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| 100% |
Uncovered Elements: 0 (4) |
Complexity: 1 |
Complexity Density: 0.25 |
|
82 |
2 |
public ChimeraManager(StructureManager structureManager)... |
83 |
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{ |
84 |
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this.structureManager = structureManager; |
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chimera = null; |
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2 |
chimeraListenerThread = null; |
87 |
2 |
currentModelsMap = new HashMap<>(); |
88 |
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|
89 |
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} |
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|
|
|
| 0% |
Uncovered Elements: 3 (3) |
Complexity: 1 |
Complexity Density: 0.33 |
|
91 |
0 |
public List<ChimeraModel> getChimeraModels(String modelName)... |
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{ |
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List<ChimeraModel> models = getChimeraModels(modelName, |
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ModelType.PDB_MODEL); |
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models.addAll(getChimeraModels(modelName, ModelType.SMILES)); |
96 |
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return models; |
97 |
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} |
98 |
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| 0% |
Uncovered Elements: 7 (7) |
Complexity: 3 |
Complexity Density: 0.6 |
|
99 |
0 |
public List<ChimeraModel> getChimeraModels(String modelName,... |
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ModelType modelType) |
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{ |
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List<ChimeraModel> models = new ArrayList<>(); |
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for (ChimeraModel model : currentModelsMap.values()) |
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{ |
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if (modelName.equals(model.getModelName()) |
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&& modelType.equals(model.getModelType())) |
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{ |
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models.add(model); |
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} |
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} |
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return models; |
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} |
113 |
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|
|
|
| 0% |
Uncovered Elements: 12 (12) |
Complexity: 3 |
Complexity Density: 0.38 |
|
114 |
0 |
public Map<String, List<ChimeraModel>> getChimeraModelsMap()... |
115 |
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{ |
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Map<String, List<ChimeraModel>> models = new HashMap<>(); |
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for (ChimeraModel model : currentModelsMap.values()) |
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{ |
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String modelName = model.getModelName(); |
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if (!models.containsKey(modelName)) |
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{ |
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models.put(modelName, new ArrayList<ChimeraModel>()); |
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} |
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if (!models.get(modelName).contains(model)) |
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{ |
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models.get(modelName).add(model); |
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} |
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} |
129 |
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return models; |
130 |
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} |
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| 0% |
Uncovered Elements: 6 (6) |
Complexity: 2 |
Complexity Density: 0.5 |
|
132 |
0 |
public ChimeraModel getChimeraModel(Integer modelNumber,... |
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Integer subModelNumber) |
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{ |
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Integer key = ChimUtils.makeModelKey(modelNumber, subModelNumber); |
136 |
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if (currentModelsMap.containsKey(key)) |
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{ |
138 |
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return currentModelsMap.get(key); |
139 |
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} |
140 |
0 |
return null; |
141 |
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} |
142 |
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|
|
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| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
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0 |
public ChimeraModel getChimeraModel()... |
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{ |
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return currentModelsMap.values().iterator().next(); |
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} |
147 |
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|
|
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| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
148 |
0 |
public Collection<ChimeraModel> getChimeraModels()... |
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{ |
150 |
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|
151 |
0 |
return currentModelsMap.values(); |
152 |
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} |
153 |
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|
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| 0% |
Uncovered Elements: 11 (11) |
Complexity: 3 |
Complexity Density: 0.43 |
|
154 |
0 |
public int getChimeraModelsCount(boolean smiles)... |
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{ |
156 |
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|
157 |
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int counter = currentModelsMap.size(); |
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if (smiles) |
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{ |
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return counter; |
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} |
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|
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for (ChimeraModel model : currentModelsMap.values()) |
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{ |
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if (model.getModelType() == ModelType.SMILES) |
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{ |
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counter--; |
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} |
169 |
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} |
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return counter; |
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} |
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| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
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public boolean hasChimeraModel(Integer modelNubmer)... |
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{ |
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return hasChimeraModel(modelNubmer, 0); |
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} |
177 |
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| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
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public boolean hasChimeraModel(Integer modelNubmer, Integer subModelNumber)... |
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{ |
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return currentModelsMap.containsKey(ChimUtils.makeModelKey(modelNubmer, |
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subModelNumber)); |
182 |
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} |
183 |
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| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
184 |
0 |
public void addChimeraModel(Integer modelNumber, Integer subModelNumber,... |
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|
ChimeraModel model) |
186 |
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{ |
187 |
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currentModelsMap.put( |
188 |
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ChimUtils.makeModelKey(modelNumber, subModelNumber), model); |
189 |
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} |
190 |
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|
|
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| 0% |
Uncovered Elements: 5 (5) |
Complexity: 2 |
Complexity Density: 0.67 |
|
191 |
0 |
public void removeChimeraModel(Integer modelNumber, Integer subModelNumber)... |
192 |
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{ |
193 |
0 |
int modelKey = ChimUtils.makeModelKey(modelNumber, subModelNumber); |
194 |
0 |
if (currentModelsMap.containsKey(modelKey)) |
195 |
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{ |
196 |
0 |
currentModelsMap.remove(modelKey); |
197 |
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} |
198 |
|
} |
199 |
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|
|
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| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
200 |
0 |
public List<ChimeraModel> openModel(String modelPath, ModelType type)... |
201 |
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{ |
202 |
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return openModel(modelPath, getFileNameFromPath(modelPath), type); |
203 |
|
} |
204 |
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|
205 |
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|
206 |
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|
207 |
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|
208 |
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@param |
209 |
|
@param |
210 |
|
@param |
211 |
|
@return |
212 |
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|
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| 0% |
Uncovered Elements: 32 (32) |
Complexity: 6 |
Complexity Density: 0.27 |
|
213 |
0 |
public List<ChimeraModel> openModel(String modelPath, String modelName,... |
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ModelType type) |
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{ |
216 |
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logger.info("chimera open " + modelPath); |
217 |
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|
218 |
0 |
List<ChimeraModel> modelList = getModelList(); |
219 |
0 |
List<String> response = null; |
220 |
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|
221 |
0 |
if (type == ModelType.MODBASE_MODEL) |
222 |
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{ |
223 |
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response = sendChimeraCommand("open modbase:" + modelPath, true); |
224 |
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225 |
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|
226 |
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227 |
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} |
228 |
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else |
229 |
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{ |
230 |
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response = sendChimeraCommand("open " + modelPath, true); |
231 |
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} |
232 |
0 |
if (response == null) |
233 |
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{ |
234 |
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|
235 |
0 |
logger.warn("Could not open " + modelPath); |
236 |
0 |
return null; |
237 |
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} |
238 |
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|
239 |
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|
240 |
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|
241 |
0 |
for (ChimeraModel newModel : getModelList()) |
242 |
|
{ |
243 |
0 |
if (!modelList.contains(newModel)) |
244 |
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{ |
245 |
0 |
newModel.setModelName(modelName); |
246 |
0 |
sendChimeraCommand( |
247 |
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"setattr M name " + modelName + " #" |
248 |
|
+ newModel.getModelNumber(), false); |
249 |
0 |
modelList.add(newModel); |
250 |
|
} |
251 |
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} |
252 |
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|
253 |
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|
254 |
0 |
for (ChimeraModel chimeraModel : modelList) |
255 |
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{ |
256 |
|
|
257 |
0 |
Color modelColor = getModelColor(chimeraModel); |
258 |
0 |
if (modelColor != null) |
259 |
|
{ |
260 |
0 |
chimeraModel.setModelColor(modelColor); |
261 |
|
} |
262 |
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|
263 |
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|
264 |
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|
265 |
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|
266 |
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|
267 |
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|
268 |
0 |
if (type != ModelType.SMILES) |
269 |
|
{ |
270 |
0 |
addResidues(chimeraModel); |
271 |
|
} |
272 |
|
} |
273 |
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|
274 |
0 |
sendChimeraCommand("focus", false); |
275 |
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|
276 |
0 |
return modelList; |
277 |
|
} |
278 |
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|
279 |
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|
280 |
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|
281 |
|
|
282 |
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|
283 |
|
@param |
284 |
|
@return |
285 |
|
|
|
|
| 0% |
Uncovered Elements: 14 (14) |
Complexity: 4 |
Complexity Density: 0.5 |
|
286 |
0 |
private String getFileNameFromPath(String modelPath)... |
287 |
|
{ |
288 |
0 |
String modelName = modelPath; |
289 |
0 |
if (modelPath == null) |
290 |
|
{ |
291 |
0 |
return null; |
292 |
|
} |
293 |
|
|
294 |
0 |
if (modelPath.lastIndexOf(File.separator) > 0) |
295 |
|
{ |
296 |
0 |
modelName = modelPath |
297 |
|
.substring(modelPath.lastIndexOf(File.separator) + 1); |
298 |
|
} |
299 |
0 |
else if (modelPath.lastIndexOf("/") > 0) |
300 |
|
{ |
301 |
0 |
modelName = modelPath.substring(modelPath.lastIndexOf("/") + 1); |
302 |
|
} |
303 |
0 |
return modelName; |
304 |
|
} |
305 |
|
|
|
|
| 0% |
Uncovered Elements: 9 (9) |
Complexity: 2 |
Complexity Density: 0.29 |
|
306 |
0 |
public void closeModel(ChimeraModel model)... |
307 |
|
{ |
308 |
|
|
309 |
|
|
310 |
|
|
311 |
0 |
stopListening(); |
312 |
0 |
logger.info("chimera close model " + model.getModelName()); |
313 |
0 |
if (currentModelsMap.containsKey(ChimUtils.makeModelKey( |
314 |
|
model.getModelNumber(), model.getSubModelNumber()))) |
315 |
|
{ |
316 |
0 |
sendChimeraCommand("close " + model.toSpec(), false); |
317 |
|
|
318 |
0 |
currentModelsMap.remove(ChimUtils.makeModelKey( |
319 |
|
model.getModelNumber(), model.getSubModelNumber())); |
320 |
|
|
321 |
|
} |
322 |
|
else |
323 |
|
{ |
324 |
0 |
logger.warn("Could not find model " + model.getModelName() |
325 |
|
+ " to close."); |
326 |
|
} |
327 |
0 |
startListening(); |
328 |
|
} |
329 |
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|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
330 |
0 |
public void startListening()... |
331 |
|
{ |
332 |
0 |
sendChimeraCommand("listen start models; listen start selection", false); |
333 |
|
} |
334 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
335 |
0 |
public void stopListening()... |
336 |
|
{ |
337 |
0 |
sendChimeraCommand("listen stop models ; listen stop selection ", false); |
338 |
|
} |
339 |
|
|
340 |
|
|
341 |
|
|
342 |
|
|
343 |
|
@param |
344 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
345 |
0 |
public void startListening(String uri)... |
346 |
|
{ |
347 |
0 |
sendChimeraCommand("listen start models url " + uri |
348 |
|
+ ";listen start select prefix SelectionChanged url " + uri, |
349 |
|
false); |
350 |
|
} |
351 |
|
|
352 |
|
|
353 |
|
|
354 |
|
|
355 |
|
@param |
356 |
|
|
357 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
358 |
0 |
public void select(String command)... |
359 |
|
{ |
360 |
0 |
sendChimeraCommand("listen stop selection; " + command |
361 |
|
+ "; listen start selection", false); |
362 |
|
} |
363 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
364 |
0 |
public void focus()... |
365 |
|
{ |
366 |
0 |
sendChimeraCommand("focus", false); |
367 |
|
} |
368 |
|
|
|
|
| 0% |
Uncovered Elements: 4 (4) |
Complexity: 1 |
Complexity Density: 0.25 |
|
369 |
0 |
public void clearOnChimeraExit()... |
370 |
|
{ |
371 |
0 |
chimera = null; |
372 |
0 |
currentModelsMap.clear(); |
373 |
0 |
this.chimeraRestPort = 0; |
374 |
0 |
structureManager.clearOnChimeraExit(); |
375 |
|
} |
376 |
|
|
|
|
| 0% |
Uncovered Elements: 7 (7) |
Complexity: 4 |
Complexity Density: 0.8 |
|
377 |
0 |
public void exitChimera()... |
378 |
|
{ |
379 |
0 |
if (isChimeraLaunched() && chimera != null) |
380 |
|
{ |
381 |
0 |
sendChimeraCommand("stop really", false); |
382 |
0 |
try |
383 |
|
{ |
384 |
|
|
385 |
|
|
386 |
0 |
chimera.destroy(); |
387 |
|
} catch (Exception ex) |
388 |
|
{ |
389 |
|
|
390 |
|
} |
391 |
|
} |
392 |
0 |
clearOnChimeraExit(); |
393 |
|
} |
394 |
|
|
|
|
| 0% |
Uncovered Elements: 10 (10) |
Complexity: 2 |
Complexity Density: 0.25 |
|
395 |
0 |
public Map<Integer, ChimeraModel> getSelectedModels()... |
396 |
|
{ |
397 |
0 |
Map<Integer, ChimeraModel> selectedModelsMap = new HashMap<>(); |
398 |
0 |
List<String> chimeraReply = sendChimeraCommand( |
399 |
|
"list selection level molecule", true); |
400 |
0 |
if (chimeraReply != null) |
401 |
|
{ |
402 |
0 |
for (String modelLine : chimeraReply) |
403 |
|
{ |
404 |
0 |
ChimeraModel chimeraModel = new ChimeraModel(modelLine); |
405 |
0 |
Integer modelKey = ChimUtils.makeModelKey( |
406 |
|
chimeraModel.getModelNumber(), |
407 |
|
chimeraModel.getSubModelNumber()); |
408 |
0 |
selectedModelsMap.put(modelKey, chimeraModel); |
409 |
|
} |
410 |
|
} |
411 |
0 |
return selectedModelsMap; |
412 |
|
} |
413 |
|
|
414 |
|
|
415 |
|
|
416 |
|
|
417 |
|
|
418 |
|
@return |
419 |
|
|
|
|
| 0% |
Uncovered Elements: 12 (12) |
Complexity: 3 |
Complexity Density: 0.38 |
|
420 |
0 |
public List<String> getSelectedResidueSpecs()... |
421 |
|
{ |
422 |
0 |
List<String> selectedResidues = new ArrayList<>(); |
423 |
0 |
List<String> chimeraReply = sendChimeraCommand( |
424 |
|
"list selection level residue", true); |
425 |
0 |
if (chimeraReply != null) |
426 |
|
{ |
427 |
|
|
428 |
|
|
429 |
|
|
430 |
|
|
431 |
|
|
432 |
0 |
for (String inputLine : chimeraReply) |
433 |
|
{ |
434 |
0 |
String[] inputLineParts = inputLine.split("\\s+"); |
435 |
0 |
if (inputLineParts.length == 5) |
436 |
|
{ |
437 |
0 |
selectedResidues.add(inputLineParts[2]); |
438 |
|
} |
439 |
|
} |
440 |
|
} |
441 |
0 |
return selectedResidues; |
442 |
|
} |
443 |
|
|
|
|
| 0% |
Uncovered Elements: 12 (12) |
Complexity: 3 |
Complexity Density: 0.38 |
|
444 |
0 |
public void getSelectedResidues(... |
445 |
|
Map<Integer, ChimeraModel> selectedModelsMap) |
446 |
|
{ |
447 |
0 |
List<String> chimeraReply = sendChimeraCommand( |
448 |
|
"list selection level residue", true); |
449 |
0 |
if (chimeraReply != null) |
450 |
|
{ |
451 |
0 |
for (String inputLine : chimeraReply) |
452 |
|
{ |
453 |
0 |
ChimeraResidue r = new ChimeraResidue(inputLine); |
454 |
0 |
Integer modelKey = ChimUtils.makeModelKey(r.getModelNumber(), |
455 |
|
r.getSubModelNumber()); |
456 |
0 |
if (selectedModelsMap.containsKey(modelKey)) |
457 |
|
{ |
458 |
0 |
ChimeraModel model = selectedModelsMap.get(modelKey); |
459 |
0 |
model.addResidue(r); |
460 |
|
} |
461 |
|
} |
462 |
|
} |
463 |
|
} |
464 |
|
|
465 |
|
|
466 |
|
|
467 |
|
|
468 |
|
|
469 |
|
|
470 |
|
@return |
471 |
|
|
472 |
|
|
|
|
| 0% |
Uncovered Elements: 9 (9) |
Complexity: 2 |
Complexity Density: 0.29 |
|
473 |
0 |
public List<ChimeraModel> getModelList()... |
474 |
|
{ |
475 |
0 |
List<ChimeraModel> modelList = new ArrayList<>(); |
476 |
0 |
List<String> list = sendChimeraCommand("list models type molecule", |
477 |
|
true); |
478 |
0 |
if (list != null) |
479 |
|
{ |
480 |
0 |
for (String modelLine : list) |
481 |
|
{ |
482 |
0 |
ChimeraModel chimeraModel = new ChimeraModel(modelLine); |
483 |
0 |
modelList.add(chimeraModel); |
484 |
|
} |
485 |
|
} |
486 |
0 |
return modelList; |
487 |
|
} |
488 |
|
|
489 |
|
|
490 |
|
|
491 |
|
|
492 |
|
|
493 |
|
|
494 |
|
@return |
495 |
|
|
|
|
| 0% |
Uncovered Elements: 11 (11) |
Complexity: 2 |
Complexity Density: 0.22 |
|
496 |
0 |
public List<String> getPresets()... |
497 |
|
{ |
498 |
0 |
ArrayList<String> presetList = new ArrayList<>(); |
499 |
0 |
List<String> output = sendChimeraCommand("preset list", true); |
500 |
0 |
if (output != null) |
501 |
|
{ |
502 |
0 |
for (String preset : output) |
503 |
|
{ |
504 |
0 |
preset = preset.substring(7); |
505 |
0 |
preset = preset.replaceFirst("\"", "("); |
506 |
0 |
preset = preset.replaceFirst("\"", ")"); |
507 |
|
|
508 |
0 |
presetList.add(preset); |
509 |
|
} |
510 |
|
} |
511 |
0 |
return presetList; |
512 |
|
} |
513 |
|
|
|
|
| 50% |
Uncovered Elements: 4 (8) |
Complexity: 3 |
Complexity Density: 0.5 |
|
514 |
1 |
public boolean isChimeraLaunched()... |
515 |
|
{ |
516 |
1 |
boolean launched = false; |
517 |
1 |
if (chimera != null) |
518 |
|
{ |
519 |
0 |
try |
520 |
|
{ |
521 |
0 |
chimera.exitValue(); |
522 |
|
|
523 |
|
} catch (IllegalThreadStateException e) |
524 |
|
{ |
525 |
|
|
526 |
0 |
launched = true; |
527 |
|
} |
528 |
|
} |
529 |
1 |
return launched; |
530 |
|
} |
531 |
|
|
532 |
|
|
533 |
|
|
534 |
|
|
535 |
|
|
536 |
|
|
537 |
|
@param |
538 |
|
@return |
539 |
|
|
|
|
| 35.3% |
Uncovered Elements: 22 (34) |
Complexity: 5 |
Complexity Density: 0.18 |
|
540 |
1 |
public boolean launchChimera(List<String> chimeraPaths)... |
541 |
|
{ |
542 |
|
|
543 |
1 |
if (isChimeraLaunched()) |
544 |
|
{ |
545 |
0 |
return true; |
546 |
|
} |
547 |
|
|
548 |
|
|
549 |
1 |
String error = "Error message: "; |
550 |
1 |
String workingPath = ""; |
551 |
|
|
552 |
1 |
for (String chimeraPath : chimeraPaths) |
553 |
|
{ |
554 |
3 |
try |
555 |
|
{ |
556 |
|
|
557 |
3 |
chimeraPath = Paths.get(chimeraPath).toRealPath().toString(); |
558 |
0 |
File path = new File(chimeraPath); |
559 |
|
|
560 |
|
|
561 |
0 |
if (!path.canExecute()) |
562 |
|
{ |
563 |
0 |
error += "File '" + path + "' does not exist.\n"; |
564 |
0 |
continue; |
565 |
|
} |
566 |
0 |
List<String> args = new ArrayList<>(); |
567 |
0 |
args.add(chimeraPath); |
568 |
|
|
569 |
|
|
570 |
0 |
args.add("--start"); |
571 |
0 |
args.add("RESTServer"); |
572 |
0 |
ProcessBuilder pb = new ProcessBuilder(args); |
573 |
0 |
chimera = pb.start(); |
574 |
0 |
error = ""; |
575 |
0 |
workingPath = chimeraPath; |
576 |
0 |
break; |
577 |
|
} catch (Exception e) |
578 |
|
{ |
579 |
|
|
580 |
3 |
error += e.getMessage(); |
581 |
|
} |
582 |
|
} |
583 |
|
|
584 |
1 |
if (error.length() == 0) |
585 |
|
{ |
586 |
0 |
this.chimeraRestPort = getPortNumber(); |
587 |
0 |
System.out.println("Chimera REST API started on port " |
588 |
|
+ chimeraRestPort); |
589 |
|
|
590 |
0 |
structureManager.setChimeraPathProperty(workingPath); |
591 |
|
|
592 |
|
|
593 |
|
|
594 |
0 |
return (chimeraRestPort > 0); |
595 |
|
} |
596 |
|
|
597 |
|
|
598 |
1 |
logger.warn(error); |
599 |
1 |
return false; |
600 |
|
} |
601 |
|
|
602 |
|
|
603 |
|
|
604 |
|
|
|
|
| 0% |
Uncovered Elements: 29 (29) |
Complexity: 8 |
Complexity Density: 0.38 |
|
605 |
0 |
private int getPortNumber()... |
606 |
|
{ |
607 |
0 |
int port = 0; |
608 |
0 |
InputStream readChan = chimera.getInputStream(); |
609 |
0 |
BufferedReader lineReader = new BufferedReader(new InputStreamReader( |
610 |
|
readChan)); |
611 |
0 |
StringBuilder responses = new StringBuilder(); |
612 |
0 |
try |
613 |
|
{ |
614 |
0 |
String response = lineReader.readLine(); |
615 |
0 |
while (response != null) |
616 |
|
{ |
617 |
0 |
responses.append("\n" + response); |
618 |
|
|
619 |
0 |
if (response.startsWith("REST server")) |
620 |
|
{ |
621 |
0 |
String[] tokens = response.split(" "); |
622 |
0 |
if (tokens.length == 7 && "port".equals(tokens[5])) |
623 |
|
{ |
624 |
0 |
port = Integer.parseInt(tokens[6]); |
625 |
0 |
break; |
626 |
|
} |
627 |
|
} |
628 |
0 |
response = lineReader.readLine(); |
629 |
|
} |
630 |
|
} catch (Exception e) |
631 |
|
{ |
632 |
0 |
logger.error("Failed to get REST port number from " + responses |
633 |
|
+ ": " + e.getMessage()); |
634 |
|
} finally |
635 |
|
{ |
636 |
0 |
try |
637 |
|
{ |
638 |
0 |
lineReader.close(); |
639 |
|
} catch (IOException e2) |
640 |
|
{ |
641 |
|
} |
642 |
|
} |
643 |
0 |
if (port == 0) |
644 |
|
{ |
645 |
0 |
System.err |
646 |
|
.println("Failed to start Chimera with REST service, response was: " |
647 |
|
+ responses); |
648 |
|
} |
649 |
0 |
logger.info("Chimera REST service listening on port " + chimeraRestPort); |
650 |
0 |
return port; |
651 |
|
} |
652 |
|
|
653 |
|
|
654 |
|
|
655 |
|
|
656 |
|
@param |
657 |
|
|
658 |
|
@return |
659 |
|
|
|
|
| 0% |
Uncovered Elements: 6 (6) |
Complexity: 3 |
Complexity Density: 0.75 |
|
660 |
0 |
public Color getModelColor(ChimeraModel model)... |
661 |
|
{ |
662 |
0 |
List<String> colorLines = sendChimeraCommand( |
663 |
|
"list model spec " + model.toSpec() + " attribute color", true); |
664 |
0 |
if (colorLines == null || colorLines.size() == 0) |
665 |
|
{ |
666 |
0 |
return null; |
667 |
|
} |
668 |
0 |
return ChimUtils.parseModelColor(colorLines.get(0)); |
669 |
|
} |
670 |
|
|
671 |
|
|
672 |
|
|
673 |
|
|
674 |
|
|
675 |
|
|
676 |
|
|
677 |
|
@param |
678 |
|
|
679 |
|
|
680 |
|
|
|
|
| 0% |
Uncovered Elements: 13 (13) |
Complexity: 4 |
Complexity Density: 0.44 |
|
681 |
0 |
public void addResidues(ChimeraModel model)... |
682 |
|
{ |
683 |
0 |
int modelNumber = model.getModelNumber(); |
684 |
0 |
int subModelNumber = model.getSubModelNumber(); |
685 |
|
|
686 |
0 |
List<String> reply = sendChimeraCommand( |
687 |
|
"list residues spec " + model.toSpec(), true); |
688 |
0 |
if (reply == null) |
689 |
|
{ |
690 |
0 |
return; |
691 |
|
} |
692 |
0 |
for (String inputLine : reply) |
693 |
|
{ |
694 |
0 |
ChimeraResidue r = new ChimeraResidue(inputLine); |
695 |
0 |
if (r.getModelNumber() == modelNumber |
696 |
|
|| r.getSubModelNumber() == subModelNumber) |
697 |
|
{ |
698 |
0 |
model.addResidue(r); |
699 |
|
} |
700 |
|
} |
701 |
|
} |
702 |
|
|
|
|
| 0% |
Uncovered Elements: 12 (12) |
Complexity: 4 |
Complexity Density: 0.5 |
|
703 |
0 |
public List<String> getAttrList()... |
704 |
|
{ |
705 |
0 |
List<String> attributes = new ArrayList<>(); |
706 |
0 |
final List<String> reply = sendChimeraCommand("list resattr", true); |
707 |
0 |
if (reply != null) |
708 |
|
{ |
709 |
0 |
for (String inputLine : reply) |
710 |
|
{ |
711 |
0 |
String[] lineParts = inputLine.split("\\s"); |
712 |
0 |
if (lineParts.length == 2 && lineParts[0].equals("resattr")) |
713 |
|
{ |
714 |
0 |
attributes.add(lineParts[1]); |
715 |
|
} |
716 |
|
} |
717 |
|
} |
718 |
0 |
return attributes; |
719 |
|
} |
720 |
|
|
|
|
| 0% |
Uncovered Elements: 29 (29) |
Complexity: 8 |
Complexity Density: 0.42 |
|
721 |
0 |
public Map<ChimeraResidue, Object> getAttrValues(String aCommand,... |
722 |
|
ChimeraModel model) |
723 |
|
{ |
724 |
0 |
Map<ChimeraResidue, Object> values = new HashMap<>(); |
725 |
0 |
final List<String> reply = sendChimeraCommand("list residue spec " |
726 |
|
+ model.toSpec() + " attribute " + aCommand, true); |
727 |
0 |
if (reply != null) |
728 |
|
{ |
729 |
0 |
for (String inputLine : reply) |
730 |
|
{ |
731 |
0 |
String[] lineParts = inputLine.split("\\s"); |
732 |
0 |
if (lineParts.length == 5) |
733 |
|
{ |
734 |
0 |
ChimeraResidue residue = ChimUtils |
735 |
|
.getResidue(lineParts[2], model); |
736 |
0 |
String value = lineParts[4]; |
737 |
0 |
if (residue != null) |
738 |
|
{ |
739 |
0 |
if (value.equals("None")) |
740 |
|
{ |
741 |
0 |
continue; |
742 |
|
} |
743 |
0 |
if (value.equals("True") || value.equals("False")) |
744 |
|
{ |
745 |
0 |
values.put(residue, Boolean.valueOf(value)); |
746 |
0 |
continue; |
747 |
|
} |
748 |
0 |
try |
749 |
|
{ |
750 |
0 |
Double doubleValue = Double.valueOf(value); |
751 |
0 |
values.put(residue, doubleValue); |
752 |
|
} catch (NumberFormatException ex) |
753 |
|
{ |
754 |
0 |
values.put(residue, value); |
755 |
|
} |
756 |
|
} |
757 |
|
} |
758 |
|
} |
759 |
|
} |
760 |
0 |
return values; |
761 |
|
} |
762 |
|
|
763 |
|
private volatile boolean busy = false; |
764 |
|
|
765 |
|
|
766 |
|
|
767 |
|
|
768 |
|
@param |
769 |
|
|
770 |
|
@param |
771 |
|
|
772 |
|
|
773 |
|
@return |
774 |
|
|
775 |
|
|
|
|
| 0% |
Uncovered Elements: 18 (18) |
Complexity: 7 |
Complexity Density: 0.58 |
|
776 |
0 |
public List<String> sendChimeraCommand(String command, boolean reply)... |
777 |
|
{ |
778 |
|
|
779 |
0 |
if (!isChimeraLaunched() || command == null |
780 |
|
|| "".equals(command.trim())) |
781 |
|
{ |
782 |
0 |
return null; |
783 |
|
} |
784 |
|
|
785 |
0 |
while (busy) |
786 |
|
{ |
787 |
0 |
try |
788 |
|
{ |
789 |
0 |
Thread.sleep(25); |
790 |
|
} catch (InterruptedException q) |
791 |
|
{ |
792 |
|
} |
793 |
|
} |
794 |
0 |
busy = true; |
795 |
0 |
long startTime = System.currentTimeMillis(); |
796 |
0 |
try |
797 |
|
{ |
798 |
0 |
return sendRestCommand(command); |
799 |
|
} finally |
800 |
|
{ |
801 |
|
|
802 |
|
|
803 |
|
|
804 |
0 |
busy = false; |
805 |
0 |
if (debug) |
806 |
|
{ |
807 |
0 |
System.out.println("Chimera command took " |
808 |
|
+ (System.currentTimeMillis() - startTime) + "ms: " |
809 |
|
+ command); |
810 |
|
} |
811 |
|
|
812 |
|
} |
813 |
|
} |
814 |
|
|
815 |
|
|
816 |
|
|
817 |
|
|
818 |
|
@param |
819 |
|
@return |
820 |
|
|
|
|
| 0% |
Uncovered Elements: 19 (19) |
Complexity: 5 |
Complexity Density: 0.33 |
|
821 |
0 |
protected List<String> sendRestCommand(String command)... |
822 |
|
{ |
823 |
0 |
String restUrl = "http://127.0.0.1:" + this.chimeraRestPort + "/run"; |
824 |
0 |
List<NameValuePair> commands = new ArrayList<>(1); |
825 |
0 |
commands.add(new BasicNameValuePair("command", command)); |
826 |
|
|
827 |
0 |
List<String> reply = new ArrayList<>(); |
828 |
0 |
BufferedReader response = null; |
829 |
0 |
try |
830 |
|
{ |
831 |
0 |
response = HttpClientUtils.doHttpUrlPost(restUrl, commands, CONNECTION_TIMEOUT_MS, |
832 |
|
REST_REPLY_TIMEOUT_MS); |
833 |
0 |
String line = ""; |
834 |
0 |
while ((line = response.readLine()) != null) |
835 |
|
{ |
836 |
0 |
reply.add(line); |
837 |
|
} |
838 |
|
} catch (Exception e) |
839 |
|
{ |
840 |
0 |
logger.error("REST call '" + command + "' failed: " + e.getMessage()); |
841 |
|
} finally |
842 |
|
{ |
843 |
0 |
if (response != null) |
844 |
|
{ |
845 |
0 |
try |
846 |
|
{ |
847 |
0 |
response.close(); |
848 |
|
} catch (IOException e) |
849 |
|
{ |
850 |
|
} |
851 |
|
} |
852 |
|
} |
853 |
0 |
return reply; |
854 |
|
} |
855 |
|
|
856 |
|
|
857 |
|
|
858 |
|
|
859 |
|
|
860 |
|
@param |
861 |
|
@param |
862 |
|
@return |
863 |
|
|
|
|
| 0% |
Uncovered Elements: 15 (15) |
Complexity: 3 |
Complexity Density: 0.23 |
|
864 |
0 |
protected List<String> sendStdinCommand(String command, boolean readReply)... |
865 |
|
{ |
866 |
0 |
chimeraListenerThread.clearResponse(command); |
867 |
0 |
String text = command.concat("\n"); |
868 |
0 |
try |
869 |
|
{ |
870 |
|
|
871 |
0 |
chimera.getOutputStream().write(text.getBytes()); |
872 |
0 |
chimera.getOutputStream().flush(); |
873 |
|
} catch (IOException e) |
874 |
|
{ |
875 |
|
|
876 |
|
|
877 |
0 |
logger.warn("Unable to execute command: " + text); |
878 |
0 |
logger.warn("Exiting..."); |
879 |
0 |
clearOnChimeraExit(); |
880 |
0 |
return null; |
881 |
|
} |
882 |
0 |
if (!readReply) |
883 |
|
{ |
884 |
0 |
return null; |
885 |
|
} |
886 |
0 |
List<String> rsp = chimeraListenerThread.getResponse(command); |
887 |
0 |
return rsp; |
888 |
|
} |
889 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
890 |
0 |
public StructureManager getStructureManager()... |
891 |
|
{ |
892 |
0 |
return structureManager; |
893 |
|
} |
894 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
895 |
0 |
public boolean isBusy()... |
896 |
|
{ |
897 |
0 |
return busy; |
898 |
|
} |
899 |
|
|
|
|
| 0% |
Uncovered Elements: 1 (1) |
Complexity: 1 |
Complexity Density: 1 |
|
900 |
0 |
public Process getChimeraProcess()... |
901 |
|
{ |
902 |
0 |
return chimera; |
903 |
|
} |
904 |
|
} |