2 * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
3 * Copyright (C) $$Year-Rel$$ The Jalview Authors
5 * This file is part of Jalview.
7 * Jalview is free software: you can redistribute it and/or
8 * modify it under the terms of the GNU General Public License
9 * as published by the Free Software Foundation, either version 3
10 * of the License, or (at your option) any later version.
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13 * WITHOUT ANY WARRANTY; without even the implied warranty
14 * of MERCHANTABILITY or FITNESS FOR A PARTICULAR
15 * PURPOSE. See the GNU General Public License for more details.
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18 * along with Jalview. If not, see <http://www.gnu.org/licenses/>.
19 * The Jalview Authors are detailed in the 'AUTHORS' file.
21 package jalview.fts.service.pdb;
24 import java.util.ArrayList;
25 import java.util.Collection;
26 import java.util.Iterator;
27 import java.util.List;
29 import java.util.Objects;
31 import javax.ws.rs.core.MediaType;
33 import org.json.simple.parser.ParseException;
35 import com.sun.jersey.api.client.Client;
36 import com.sun.jersey.api.client.ClientResponse;
37 import com.sun.jersey.api.client.WebResource;
38 import com.sun.jersey.api.client.config.DefaultClientConfig;
40 import jalview.datamodel.SequenceI;
41 import jalview.fts.api.FTSData;
42 import jalview.fts.api.FTSDataColumnI;
43 import jalview.fts.api.FTSRestClientI;
44 import jalview.fts.core.FTSRestClient;
45 import jalview.fts.core.FTSRestRequest;
46 import jalview.fts.core.FTSRestResponse;
47 import jalview.fts.service.alphafold.AlphafoldRestClient;
48 import jalview.util.JSONUtils;
49 import jalview.util.MessageManager;
50 import jalview.util.Platform;
53 * A rest client for querying the Search endpoint of the PDB API
57 public class PDBFTSRestClient extends FTSRestClient
60 private static FTSRestClientI instance = null;
62 public static final String PDB_SEARCH_ENDPOINT = "https://www.ebi.ac.uk/pdbe/search/pdb/select?";
64 protected PDBFTSRestClient()
69 * Takes a PDBRestRequest object and returns a response upon execution
71 * @param pdbRestRequest
72 * the PDBRestRequest instance to be processed
73 * @return the pdbResponse object for the given request
76 @SuppressWarnings({ "unused", "unchecked" })
78 public FTSRestResponse executeRequest(FTSRestRequest pdbRestRequest)
83 String wantedFields = getDataColumnsFieldsAsCommaDelimitedString(
84 pdbRestRequest.getWantedFields());
85 int responseSize = (pdbRestRequest.getResponseSize() == 0)
86 ? getDefaultResponsePageSize()
87 : pdbRestRequest.getResponseSize();
88 int offSet = pdbRestRequest.getOffSet();
89 String sortParam = null;
90 if (pdbRestRequest.getFieldToSortBy() == null
91 || pdbRestRequest.getFieldToSortBy().trim().isEmpty())
97 if (pdbRestRequest.getFieldToSortBy()
98 .equalsIgnoreCase("Resolution"))
100 sortParam = pdbRestRequest.getFieldToSortBy()
101 + (pdbRestRequest.isAscending() ? " asc" : " desc");
105 sortParam = pdbRestRequest.getFieldToSortBy()
106 + (pdbRestRequest.isAscending() ? " desc" : " asc");
110 String facetPivot = (pdbRestRequest.getFacetPivot() == null
111 || pdbRestRequest.getFacetPivot().isEmpty()) ? ""
112 : pdbRestRequest.getFacetPivot();
113 String facetPivotMinCount = String
114 .valueOf(pdbRestRequest.getFacetPivotMinCount());
116 String query = pdbRestRequest.getFieldToSearchBy()
117 + pdbRestRequest.getSearchTerm()
118 + (pdbRestRequest.isAllowEmptySeq() ? ""
119 : " AND molecule_sequence:['' TO *]")
120 + (pdbRestRequest.isAllowUnpublishedEntries() ? ""
121 : " AND status:REL");
123 // Build request parameters for the REST Request
125 // BH 2018 the trick here is to coerce the classes in Javascript to be
126 // different from the ones in Java yet still allow this to be correct for Java
128 Class<ClientResponse> clientResponseClass;
131 // JavaScript only -- coerce types to Java types for Java
132 client = (Client) (Object) new jalview.javascript.web.Client();
133 clientResponseClass = (Class<ClientResponse>) (Object) jalview.javascript.web.ClientResponse.class;
142 client = Client.create(new DefaultClientConfig());
143 clientResponseClass = ClientResponse.class;
146 WebResource webResource;
147 if (pdbRestRequest.isFacet())
149 webResource = client.resource(PDB_SEARCH_ENDPOINT)
150 .queryParam("wt", "json").queryParam("fl", wantedFields)
151 .queryParam("rows", String.valueOf(responseSize))
152 .queryParam("q", query)
153 .queryParam("start", String.valueOf(offSet))
154 .queryParam("sort", sortParam).queryParam("facet", "true")
155 .queryParam("facet.pivot", facetPivot)
156 .queryParam("facet.pivot.mincount", facetPivotMinCount);
160 webResource = client.resource(PDB_SEARCH_ENDPOINT)
161 .queryParam("wt", "json").queryParam("fl", wantedFields)
162 .queryParam("rows", String.valueOf(responseSize))
163 .queryParam("start", String.valueOf(offSet))
164 .queryParam("q", query).queryParam("sort", sortParam);
167 URI uri = webResource.getURI();
169 // System.out.println(uri);
171 // Execute the REST request
172 ClientResponse clientResponse = webResource
173 .accept(MediaType.APPLICATION_JSON).get(clientResponseClass );
175 // Get the JSON string from the response object or directly from the
176 // client (JavaScript)
177 Map<String, Object> jsonObj = null;
178 String responseString = null;
180 // System.out.println("query >>>>>>> " + pdbRestRequest.toString());
182 // Check the response status and report exception if one occurs
183 int responseStatus = clientResponse.getStatus();
184 switch (responseStatus)
189 jsonObj = clientResponse.getEntity(Map.class);
193 responseString = clientResponse.getEntity(String.class);
197 throw new Exception(parseJsonExceptionString(responseString));
200 getMessageByHTTPStatusCode(responseStatus, "PDB"));
203 // Process the response and return the result to the caller.
204 return parsePDBJsonResponse(responseString, jsonObj, pdbRestRequest);
205 } catch (Exception e)
207 String exceptionMsg = e.getMessage();
208 if (exceptionMsg.contains("SocketException"))
210 // No internet connection
211 throw new Exception(MessageManager.getString(
212 "exception.unable_to_detect_internet_connection"));
214 else if (exceptionMsg.contains("UnknownHostException"))
216 // The server 'www.ebi.ac.uk' is unreachable
217 throw new Exception(MessageManager.formatMessage(
218 "exception.fts_server_unreachable", "PDB Solr"));
228 * Process error response from PDB server if/when one occurs.
230 * @param jsonResponse
231 * the JSON string containing error message from the server
232 * @return the processed error message from the JSON string
234 @SuppressWarnings("unchecked")
235 public static String parseJsonExceptionString(String jsonErrorResponse)
237 StringBuilder errorMessage = new StringBuilder(
238 "\n============= PDB Rest Client RunTime error =============\n");
242 // "responseHeader":{
246 // "q":"(text:q93xj9_soltu) AND molecule_sequence:['' TO *] AND status:REL",
247 // "fl":"pdb_id,title,experimental_method,resolution",
249 // "sort":"overall_quality desc",
252 // "response":{"numFound":1,"start":0,"docs":[
254 // "experimental_method":["X-ray diffraction"],
256 // "resolution":2.46,
257 // "title":"The crystal structure of Potato ferredoxin I with 2Fe-2S cluster"}]
262 Map<String, Object> jsonObj = (Map<String, Object>) JSONUtils.parse(jsonErrorResponse);
263 Map<String, Object> errorResponse = (Map<String, Object>) jsonObj.get("error");
265 Map<String, Object> responseHeader = (Map<String, Object>) jsonObj
266 .get("responseHeader");
267 Map<String, Object> paramsObj = (Map<String, Object>) responseHeader.get("params");
268 String status = responseHeader.get("status").toString();
269 String message = errorResponse.get("msg").toString();
270 String query = paramsObj.get("q").toString();
271 String fl = paramsObj.get("fl").toString();
273 errorMessage.append("Status: ").append(status).append("\n");
274 errorMessage.append("Message: ").append(message).append("\n");
275 errorMessage.append("query: ").append(query).append("\n");
276 errorMessage.append("fl: ").append(fl).append("\n");
278 } catch (ParseException e)
282 return errorMessage.toString();
286 * Parses the JSON response string from PDB REST API. The response is dynamic
287 * hence, only fields specifically requested for in the 'wantedFields'
288 * parameter is fetched/processed
290 * @param pdbJsonResponseString
291 * the JSON string to be parsed
292 * @param pdbRestRequest
293 * the request object which contains parameters used to process the
297 public static FTSRestResponse parsePDBJsonResponse(
298 String pdbJsonResponseString, FTSRestRequest pdbRestRequest)
300 return parsePDBJsonResponse(pdbJsonResponseString,
301 (Map<String, Object>) null, pdbRestRequest);
304 @SuppressWarnings("unchecked")
305 public static FTSRestResponse parsePDBJsonResponse(
306 String pdbJsonResponseString, Map<String, Object> jsonObj,
307 FTSRestRequest pdbRestRequest)
309 FTSRestResponse searchResult = new FTSRestResponse();
310 List<FTSData> result = null;
315 jsonObj = (Map<String, Object>) JSONUtils.parse(pdbJsonResponseString);
317 Map<String, Object> pdbResponse = (Map<String, Object>) jsonObj.get("response");
318 String queryTime = ((Map<String, Object>) jsonObj.get("responseHeader"))
319 .get("QTime").toString();
320 int numFound = Integer
321 .valueOf(pdbResponse.get("numFound").toString());
322 List<Object> docs = (List<Object>) pdbResponse.get("docs");
323 // add in any alphafold bits at the top
324 result = AlphafoldRestClient.getFTSData(pdbRestRequest);
328 for (Iterator<Object> docIter = docs.iterator(); docIter
331 Map<String, Object> doc = (Map<String, Object>) docIter.next();
332 result.add(getFTSData(doc, pdbRestRequest));
335 searchResult.setNumberOfItemsFound(result.size());
336 searchResult.setResponseTime(queryTime);
337 searchResult.setSearchSummary(result);
339 } catch (ParseException e)
346 public static FTSData getFTSData(Map<String, Object> pdbJsonDoc,
347 FTSRestRequest request)
350 String primaryKey = null;
352 Object[] summaryRowData;
354 SequenceI associatedSequence;
356 Collection<FTSDataColumnI> diplayFields = request.getWantedFields();
357 SequenceI associatedSeq = request.getAssociatedSequence();
359 summaryRowData = new Object[(associatedSeq != null)
360 ? diplayFields.size() + 1
361 : diplayFields.size()];
362 if (associatedSeq != null)
364 associatedSequence = associatedSeq;
365 summaryRowData[0] = associatedSequence;
369 for (FTSDataColumnI field : diplayFields)
371 String fieldData = (pdbJsonDoc.get(field.getCode()) == null) ? ""
372 : pdbJsonDoc.get(field.getCode()).toString();
373 if (field.isPrimaryKeyColumn())
375 primaryKey = fieldData;
376 summaryRowData[colCounter++] = primaryKey;
378 else if (fieldData == null || fieldData.isEmpty())
380 summaryRowData[colCounter++] = null;
386 summaryRowData[colCounter++] = (field.getDataType()
387 .getDataTypeClass() == Integer.class)
388 ? Integer.valueOf(fieldData)
389 : (field.getDataType()
390 .getDataTypeClass() == Double.class)
391 ? Double.valueOf(fieldData)
392 : sanitiseData(fieldData);
393 } catch (Exception e)
396 System.out.println("offending value:" + fieldData);
401 final String primaryKey1 = primaryKey;
403 final Object[] summaryRowData1 = summaryRowData;
407 public Object[] getSummaryData()
409 return summaryRowData1;
413 public Object getPrimaryKey()
419 * Returns a string representation of this object;
422 public String toString()
424 StringBuilder summaryFieldValues = new StringBuilder();
425 for (Object summaryField : summaryRowData1)
427 summaryFieldValues.append(
428 summaryField == null ? " " : summaryField.toString())
431 return summaryFieldValues.toString();
435 * Returns hash code value for this object
438 public int hashCode()
440 return Objects.hash(primaryKey1, this.toString());
444 public boolean equals(Object that)
446 return this.toString().equals(that.toString());
451 private static String sanitiseData(String data)
453 String cleanData = data.replaceAll("\\[\"", "").replaceAll("\\]\"", "")
454 .replaceAll("\\[", "").replaceAll("\\]", "")
455 .replaceAll("\",\"", ", ").replaceAll("\"", "");
460 public String getColumnDataConfigFileName()
462 return "/fts/pdb_data_columns.txt";
465 public static FTSRestClientI getInstance()
467 if (instance == null)
469 instance = new PDBFTSRestClient();
474 private Collection<FTSDataColumnI> allDefaultDisplayedStructureDataColumns;
476 public Collection<FTSDataColumnI> getAllDefaultDisplayedStructureDataColumns()
478 if (allDefaultDisplayedStructureDataColumns == null
479 || allDefaultDisplayedStructureDataColumns.isEmpty())
481 allDefaultDisplayedStructureDataColumns = new ArrayList<>();
482 allDefaultDisplayedStructureDataColumns
483 .addAll(super.getAllDefaultDisplayedFTSDataColumns());
485 return allDefaultDisplayedStructureDataColumns;