/* * Jalview - A Sequence Alignment Editor and Viewer (Version 2.9) * Copyright (C) 2015 The Jalview Authors * * This file is part of Jalview. * * Jalview is free software: you can redistribute it and/or * modify it under the terms of the GNU General Public License * as published by the Free Software Foundation, either version 3 * of the License, or (at your option) any later version. * * Jalview 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 General Public License for more details. * * You should have received a copy of the GNU General Public License * along with Jalview. If not, see . * The Jalview Authors are detailed in the 'AUTHORS' file. */ package jalview.ws.dbsources; import jalview.util.MessageManager; import jalview.ws.uimodel.PDBRestRequest; import jalview.ws.uimodel.PDBRestResponse; import jalview.ws.uimodel.PDBRestResponse.PDBResponseSummary; import java.util.ArrayList; import java.util.Collection; import java.util.Iterator; import java.util.List; import javax.ws.rs.core.MediaType; import org.json.simple.JSONArray; import org.json.simple.JSONObject; import org.json.simple.parser.JSONParser; import org.json.simple.parser.ParseException; import com.sun.jersey.api.client.Client; import com.sun.jersey.api.client.ClientResponse; import com.sun.jersey.api.client.WebResource; import com.sun.jersey.api.client.config.ClientConfig; import com.sun.jersey.api.client.config.DefaultClientConfig; /** * A rest client for querying the Search endpoing of the PDB REST API * * @author tcnofoegbu * */ public class PDBRestClient { public static final String PDB_SEARCH_ENDPOINT = "http://www.ebi.ac.uk/pdbe/search/pdb/select?"; private static int DEFAULT_RESPONSE_SIZE = 200; /** * Takes a PDBRestRequest object and returns a response upon execution * * @param pdbRestRequest * the PDBRestRequest instance to be processed * @return the pdbResponse object for the given request * @throws Exception */ public PDBRestResponse executeRequest(PDBRestRequest pdbRestRequest) throws Exception { try { ClientConfig clientConfig = new DefaultClientConfig(); Client client = Client.create(clientConfig); String wantedFields = getPDBDocFieldsAsCommaDelimitedString(pdbRestRequest .getWantedFields()); int responseSize = (pdbRestRequest.getResponseSize() == 0) ? DEFAULT_RESPONSE_SIZE : pdbRestRequest.getResponseSize(); String sortParam = (pdbRestRequest.getFieldToSortBy() == null || pdbRestRequest .getFieldToSortBy().trim().isEmpty()) ? "" : (pdbRestRequest .getFieldToSortBy() + (pdbRestRequest.isAscending() ? " asc" : " desc")); // Build request parameters for the REST Request WebResource webResource = client.resource(PDB_SEARCH_ENDPOINT) .queryParam("wt", "json").queryParam("fl", wantedFields) .queryParam("rows", String.valueOf(responseSize)) .queryParam("q", pdbRestRequest.getQuery()) .queryParam("sort", sortParam); // Execute the REST request ClientResponse clientResponse = webResource.accept( MediaType.APPLICATION_JSON).get(ClientResponse.class); // Get the JSON string from the response object String responseString = clientResponse.getEntity(String.class); // Check the response status and report exception if one occurs if (clientResponse.getStatus() != 200) { String errorMessage = ""; if (clientResponse.getStatus() == 400) { errorMessage = parseJsonExceptionString(responseString); throw new Exception(errorMessage); } else { errorMessage = getMessageByHTTPStatusCode(clientResponse .getStatus()); throw new Exception(errorMessage); } } // Make redundant objects eligible for garbage collection to conserve // memory clientResponse = null; client = null; // Process the response and return the result to the caller. return parsePDBJsonResponse(responseString, pdbRestRequest); } catch (Exception e) { String exceptionMsg = e.getMessage(); if (exceptionMsg.contains("SocketException")) { // No internet connection throw new Exception( MessageManager .getString("exception.unable_to_detect_internet_connection")); } else if (exceptionMsg.contains("UnknownHostException")) { // The server 'www.ebi.ac.uk' is unreachable throw new Exception( MessageManager .getString("exception.pdb_server_unreachable")); } else { throw e; } } } public String getMessageByHTTPStatusCode(int code) { String message = ""; switch (code) { case 410: message = MessageManager .getString("exception.pdb_rest_service_no_longer_available"); break; case 403: case 404: message = MessageManager.getString("exception.resource_not_be_found"); break; case 408: case 409: case 500: case 501: case 502: case 503: case 504: case 505: message = MessageManager.getString("exception.pdb_server_error"); break; default: break; } return message; } /** * Process error response from PDB server if/when one occurs. * * @param jsonResponse * the JSON string containing error message from the server * @return the processed error message from the JSON string */ public static String parseJsonExceptionString(String jsonErrorResponse) { StringBuilder errorMessage = new StringBuilder( "\n============= PDB Rest Client RunTime error =============\n"); try { JSONParser jsonParser = new JSONParser(); JSONObject jsonObj = (JSONObject) jsonParser.parse(jsonErrorResponse); JSONObject errorResponse = (JSONObject) jsonObj.get("error"); JSONObject responseHeader = (JSONObject) jsonObj .get("responseHeader"); JSONObject paramsObj = (JSONObject) responseHeader.get("params"); String status = responseHeader.get("status").toString(); String message = errorResponse.get("msg").toString(); String query = paramsObj.get("q").toString(); String fl = paramsObj.get("fl").toString(); errorMessage.append("Status: ").append(status).append("\n"); errorMessage.append("Message: ").append(message).append("\n"); errorMessage.append("query: ").append(query).append("\n"); errorMessage.append("fl: ").append(fl).append("\n"); } catch (ParseException e) { e.printStackTrace(); } return errorMessage.toString(); } /** * Parses the JSON response string from PDB REST API. The response is dynamic * hence, only fields specifically requested for in the 'wantedFields' * parameter is fetched/processed * * @param pdbJsonResponseString * the JSON string to be parsed * @param pdbRestRequest * the request object which contains parameters used to process the * JSON string * @return */ @SuppressWarnings("unchecked") public static PDBRestResponse parsePDBJsonResponse( String pdbJsonResponseString, PDBRestRequest pdbRestRequest) { PDBRestResponse searchResult = new PDBRestResponse(); List result = null; try { JSONParser jsonParser = new JSONParser(); JSONObject jsonObj = (JSONObject) jsonParser .parse(pdbJsonResponseString); JSONObject pdbResponse = (JSONObject) jsonObj.get("response"); String queryTime = ((JSONObject) jsonObj.get("responseHeader")).get( "QTime").toString(); int numFound = Integer .valueOf(pdbResponse.get("numFound").toString()); if (numFound > 0) { result = new ArrayList(); JSONArray docs = (JSONArray) pdbResponse.get("docs"); for (Iterator docIter = docs.iterator(); docIter .hasNext();) { JSONObject doc = docIter.next(); result.add(searchResult.new PDBResponseSummary(doc, pdbRestRequest)); } searchResult.setNumberOfItemsFound(numFound); searchResult.setResponseTime(queryTime); searchResult.setSearchSummary(result); } } catch (ParseException e) { e.printStackTrace(); } return searchResult; } /** * Takes a collection of PDBDocField and converts its 'code' Field values into * a comma delimited string. * * @param pdbDocfields * the collection of PDBDocField to process * @return the comma delimited string from the pdbDocFields collection */ public static String getPDBDocFieldsAsCommaDelimitedString( Collection pdbDocfields) { String result = ""; if (pdbDocfields != null && !pdbDocfields.isEmpty()) { StringBuilder returnedFields = new StringBuilder(); for (PDBDocField field : pdbDocfields) { returnedFields.append(",").append(field.getCode()); } returnedFields.deleteCharAt(0); result = returnedFields.toString(); } return result; } /** * Determines the column index for 'PDB Id' Fields in the dynamic summary * table. The PDB Id serves as a unique identifier for a given row in the * summary table * * @param wantedFields * the available table columns in no particular order * @return the pdb id field column index */ public static int getPDBIdColumIndex( Collection wantedFields, boolean hasRefSeq) { // If a reference sequence is attached then start counting from 1 else // start from zero int pdbFieldIndexCounter = hasRefSeq ? 1 : 0; for (PDBDocField field : wantedFields) { if (field.equals(PDBDocField.PDB_ID)) { break; // Once PDB Id index is determined exit iteration } ++pdbFieldIndexCounter; } return pdbFieldIndexCounter; } /** * This enum represents the fields available in the PDB JSON response * */ public enum PDBDocField { PDB_ID("PDB Id", "pdb_id"), TITLE("Title", "title"), MOLECULE_NAME( "Molecule", "molecule_name"), MOLECULE_TYPE("Molecule Type", "molecule_type"), MOLECULE_SEQUENCE("Sequence", "molecule_sequence"), PFAM_ACCESSION("PFAM Accession", "pfam_accession"), PFAM_NAME("PFAM Name", "pfam_name"), INTERPRO_NAME( "InterPro Name", "interpro_name"), INTERPRO_ACCESSION( "InterPro Accession", "interpro_accession"), UNIPROT_ID( "UniProt Id", "uniprot_id"), UNIPROT_ACCESSION( "UniProt Accession", "uniprot_accession"), UNIPROT_COVERAGE( "UniProt Coverage", "uniprot_coverage"), UNIPROT_FEATURES( "Uniprot Features", "uniprot_features"), R_FACTOR("R Factor", "r_factor"), RESOLUTION("Resolution", "resolution"), DATA_QUALITY( "Data Quality", "data_quality"), OVERALL_QUALITY( "Overall Quality", "overall_quality"), POLYMER_COUNT( "Number of Polymers", "number_of_polymers"), PROTEIN_CHAIN_COUNT( "Number of Protein Chains", "number_of_protein_chains"), BOUND_MOLECULE_COUNT( "Number of Bound Molecule", "number_of_bound_molecules"), POLYMER_RESIDUE_COUNT( "Number of Polymer Residue", "number_of_polymer_residues"), GENUS( "GENUS", "genus"), GENE_NAME("Gene Name", "gene_name"), EXPERIMENTAL_METHOD( "Experimental Method", "experimental_method"), GO_ID("GO Id", "go_id"), ASSEMBLY_ID("Assembly Id", "assembly_form"), ASSEMBLY_FORM( "Assembly Form", "assembly_id"), ASSEMBLY_TYPE("Assembly Type", "assembly_type"), SPACE_GROUP("Space Group", "spacegroup"), CATH_CODE( "Cath Code", "cath_code"), TAX_ID("Tax Id", "tax_id"), TAX_QUERY( "Tax Query", "tax_query"), INTERACTING_ENTRY_ID( "Interacting Entry Id", "interacting_entry_id"), INTERACTING_ENTITY_ID( "Interacting Entity Id", "interacting_entity_id"), INTERACTING_MOLECULES( "Interacting Molecules", "interacting_molecules"), PUBMED_ID( "Pubmed Id", "pubmed_id"), STATUS("Status", "status"), MODEL_QUALITY( "Model Quality", "model_quality"), PIVOT_RESOLUTION( "Pivot Resolution", "pivot_resolution"), DATA_REDUCTION_SOFTWARE( "Data reduction software", "data_reduction_software"), MAX_OBSERVED_RES( "Max observed residues", "max_observed_residues"), ORG_SCI_NAME( "Organism scientific name", "organism_scientific_name"), SUPER_KINGDOM( "Super kingdom", "superkingdom"), RANK("Rank", "rank"), CRYSTALLISATION_PH( "Crystallisation Ph", "crystallisation_ph"), BIOLOGICAL_FUNCTION( "Biological Function", "biological_function"), BIOLOGICAL_PROCESS( "Biological Process", "biological_process"), BIOLOGICAL_CELL_COMPONENT( "Biological Cell Component", "biological_cell_component"), COMPOUND_NAME( "Compound Name", "compound_name"), COMPOUND_ID("Compound Id", "compound_id"), COMPOUND_WEIGHT("Compound Weight", "compound_weight"), COMPOUND_SYSTEMATIC_NAME( "Compound Systematic Name", "compound_systematic_name"), INTERACTING_LIG( "Interacting Ligands", "interacting_ligands"), JOURNAL( "Journal", "journal"), ALL_AUTHORS("All Authors", "all_authors"), EXPERIMENTAL_DATA_AVAILABLE( "Experiment Data Available", "experiment_data_available"), DIFFRACTION_PROTOCOL( "Diffraction Protocol", "diffraction_protocol"), REFINEMENT_SOFTWARE( "Refinement Software", "refinement_software"), STRUCTURE_DETERMINATION_METHOD( "Structure Determination Method", "structure_determination_method"), SYNCHROTON_SITE( "Synchrotron Site", "synchrotron_site"), SAMPLE_PREP_METHOD( "Sample Preparation Method", "sample_preparation_method"), ENTRY_AUTHORS( "Entry Authors", "entry_authors"), CITATION_TITLE( "Citation Title", "citation_title"), STRUCTURE_SOLUTION_SOFTWARE( "Structure Solution Software", "structure_solution_software"), ENTRY_ENTITY( "Entry Entity", "entry_entity"), R_FREE("R Free", "r_free"), NO_OF_POLYMER_ENTITIES( "Number of Polymer Entities", "number_of_polymer_entities"), NO_OF_BOUND_ENTITIES( "Number of Bound Entities", "number_of_bound_entities"), CRYSTALLISATION_RESERVOIR( "Crystallisation Reservoir", "crystallisation_reservoir"), DATA_SCALING_SW( "Data Scalling Software", "data_scaling_software"), DETECTOR( "Detector", "detector"), DETECTOR_TYPE("Detector Type", "detector_type"), MODIFIED_RESIDUE_FLAG( "Modified Residue Flag", "modified_residue_flag"), NUMBER_OF_COPIES( "Number of Copies", "number_of_copies"), STRUCT_ASYM_ID( "Struc Asym Id", "struct_asym_id"), HOMOLOGUS_PDB_ENTITY_ID( "Homologus PDB Entity Id", "homologus_pdb_entity_id"), MOLECULE_SYNONYM( "Molecule Synonym", "molecule_synonym"), DEPOSITION_SITE( "Deposition Site", "deposition_site"), SYNCHROTRON_BEAMLINE( "Synchrotron Beamline", "synchrotron_beamline"), ENTITY_ID( "Entity Id", "entity_id"), BEAM_SOURCE_NAME("Beam Source Name", "beam_source_name"), PROCESSING_SITE("Processing Site", "processing_site"), ENTITY_WEIGHT("Entity Weight", "entity_weight"), VERSION("Version", "_version_"), ALL("ALL", "text"); private String name; private String code; PDBDocField(String name, String code) { this.name = name; this.code = code; } public String getName() { return name; } public String getCode() { return code; } public String toString() { return name; } } }