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1 parent 9f05a76 commit f26563d
1 file changed
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
@@ -1196,20 +1196,20 @@ public void finish() { | |||
| 1196 | 1196 | Map<String,List<SeqMisMatch>> misMatchMap = new HashMap<>(); | |
| 1197 | 1197 | for (int rowIndex = 0; rowIndex < structRefSeqDif.getRowCount(); rowIndex++) { | |
| 1198 | 1198 | SeqMisMatch seqMisMatch = new SeqMisMatchImpl(); | |
| 1199 | - seqMisMatch.setDetails(structRefSeqDif.getColumn("details").getStringData(rowIndex)); | ||
| 1199 | + seqMisMatch.setDetails(structRefSeqDif.getDetails().get(rowIndex)); | ||
| 1200 | 1200 | ||
| 1201 | - String insCode = structRefSeqDif.getColumn("pdbx_pdb_ins_code").getStringData(rowIndex); | ||
| 1201 | + String insCode = structRefSeqDif.getPdbxPdbInsCode().get(rowIndex); | ||
| 1202 | 1202 | if (insCode != null && insCode.equals("?")) { | |
| 1203 | 1203 | insCode = null; | |
| 1204 | 1204 | } | |
| 1205 | 1205 | seqMisMatch.setInsCode(insCode); | |
| 1206 | - seqMisMatch.setOrigGroup(structRefSeqDif.getColumn("db_mon_id").getStringData(rowIndex)); | ||
| 1207 | - seqMisMatch.setPdbGroup(structRefSeqDif.getColumn("mon_id").getStringData(rowIndex)); | ||
| 1208 | - seqMisMatch.setPdbResNum(structRefSeqDif.getColumn("pdbx_auth_seq_num").getStringData(rowIndex)); | ||
| 1209 | - seqMisMatch.setUniProtId(structRefSeqDif.getColumn("pdbx_seq_db_accession_code").getStringData(rowIndex)); | ||
| 1210 | - seqMisMatch.setSeqNum(Integer.parseInt(structRefSeqDif.getColumn("seq_num").getStringData(rowIndex))); | ||
| 1206 | + seqMisMatch.setOrigGroup(structRefSeqDif.getDbMonId().get(rowIndex)); | ||
| 1207 | + seqMisMatch.setPdbGroup(structRefSeqDif.getMonId().get(rowIndex)); | ||
| 1208 | + seqMisMatch.setPdbResNum(structRefSeqDif.getPdbxAuthSeqNum().get(rowIndex)); | ||
| 1209 | + seqMisMatch.setUniProtId(structRefSeqDif.getPdbxSeqDbAccessionCode().get(rowIndex)); | ||
| 1210 | + seqMisMatch.setSeqNum(structRefSeqDif.getSeqNum().get(rowIndex)); | ||
| 1211 | 1211 | ||
| 1212 | - String strandId = structRefSeqDif.getColumn("pdbx_pdb_strand_id").getStringData(rowIndex); | ||
| 1212 | + String strandId = structRefSeqDif.getPdbxPdbStrandId().get(rowIndex); | ||
| 1213 | 1213 | List<SeqMisMatch> seqMisMatches = misMatchMap.computeIfAbsent(strandId, k -> new ArrayList<>()); | |
| 1214 | 1214 | seqMisMatches.add(seqMisMatch); | |
| 1215 | 1215 | } | |
@@ -1283,23 +1283,23 @@ private void addAncilliaryEntityData(int asymRowIndex, EntityInfo entityInfo) { | |||
| 1283 | 1283 | // This is a potentially huge assumption... | |
| 1284 | 1284 | ||
| 1285 | 1285 | for (int rowIndex = 0; rowIndex < entitySrcGen.getRowCount(); rowIndex++) { | |
| 1286 | - if (entitySrcGen.getColumn("entity_id").getStringData(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { | ||
| 1286 | + if (entitySrcGen.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { | ||
| 1287 | 1287 | continue; | |
| 1288 | 1288 | } | |
| 1289 | 1289 | ||
| 1290 | 1290 | addInformationFromEntitySrcGen(rowIndex, entityInfo); | |
| 1291 | 1291 | } | |
| 1292 | 1292 | ||
| 1293 | 1293 | for (int rowIndex = 0; rowIndex < entitySrcNat.getRowCount(); rowIndex++) { | |
| 1294 | - if (entitySrcNat.getColumn("entity_id").getStringData(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { | ||
| 1294 | + if (entitySrcNat.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { | ||
| 1295 | 1295 | continue; | |
| 1296 | 1296 | } | |
| 1297 | 1297 | ||
| 1298 | 1298 | addInformationFromEntitySrcNat(rowIndex, entityInfo); | |
| 1299 | 1299 | } | |
| 1300 | 1300 | ||
| 1301 | 1301 | for (int rowIndex = 0; rowIndex < entitySrcSyn.getRowCount(); rowIndex++) { | |
| 1302 | - if (entitySrcSyn.getColumn("entity_id").getStringData(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { | ||
| 1302 | + if (entitySrcSyn.getEntityId().get(rowIndex).equals(structAsym.getEntityId().get(asymRowIndex))) { | ||
| 1303 | 1303 | continue; | |
| 1304 | 1304 | } | |
| 1305 | 1305 | ||
@@ -1308,27 +1308,27 @@ private void addAncilliaryEntityData(int asymRowIndex, EntityInfo entityInfo) { | |||
| 1308 | 1308 | } | |
| 1309 | 1309 | ||
| 1310 | 1310 | private void addInformationFromEntitySrcSyn(int rowIndex, EntityInfo entityInfo) { | |
| 1311 | - entityInfo.setOrganismCommon(entitySrcSyn.getColumn("organism_common_name").getStringData(rowIndex)); | ||
| 1312 | - entityInfo.setOrganismScientific(entitySrcSyn.getColumn("organism_scientific").getStringData(rowIndex)); | ||
| 1313 | - entityInfo.setOrganismTaxId(entitySrcSyn.getColumn("ncbi_taxonomy_id").getStringData(rowIndex)); | ||
| 1311 | + entityInfo.setOrganismCommon(entitySrcSyn.getOrganismCommonName().get(rowIndex)); | ||
| 1312 | + entityInfo.setOrganismScientific(entitySrcSyn.getOrganismScientific().get(rowIndex)); | ||
| 1313 | + entityInfo.setOrganismTaxId(entitySrcSyn.getNcbiTaxonomyId().get(rowIndex)); | ||
| 1314 | 1314 | } | |
| 1315 | 1315 | ||
| 1316 | 1316 | private void addInformationFromEntitySrcNat(int rowIndex, EntityInfo entityInfo) { | |
| 1317 | - entityInfo.setAtcc(entitySrcNat.getColumn("pdbx_atcc").getStringData(rowIndex)); | ||
| 1318 | - entityInfo.setCell(entitySrcNat.getColumn("pdbx_cell").getStringData(rowIndex)); | ||
| 1319 | - entityInfo.setOrganismCommon(entitySrcNat.getColumn("common_name").getStringData(rowIndex)); | ||
| 1320 | - entityInfo.setOrganismScientific(entitySrcNat.getColumn("pdbx_organism_scientific").getStringData(rowIndex)); | ||
| 1321 | - entityInfo.setOrganismTaxId(entitySrcNat.getColumn("pdbx_ncbi_taxonomy_id").getStringData(rowIndex)); | ||
| 1317 | + entityInfo.setAtcc(entitySrcNat.getPdbxAtcc().get(rowIndex)); | ||
| 1318 | + entityInfo.setCell(entitySrcNat.getPdbxCell().get(rowIndex)); | ||
| 1319 | + entityInfo.setOrganismCommon(entitySrcNat.getCommonName().get(rowIndex)); | ||
| 1320 | + entityInfo.setOrganismScientific(entitySrcNat.getPdbxOrganismScientific().get(rowIndex)); | ||
| 1321 | + entityInfo.setOrganismTaxId(entitySrcNat.getPdbxNcbiTaxonomyId().get(rowIndex)); | ||
| 1322 | 1322 | } | |
| 1323 | 1323 | ||
| 1324 | 1324 | private void addInformationFromEntitySrcGen(int rowIndex, EntityInfo entityInfo) { | |
| 1325 | - entityInfo.setAtcc(entitySrcGen.getColumn("pdbx_gene_src_atcc").getStringData(rowIndex)); | ||
| 1326 | - entityInfo.setCell(entitySrcGen.getColumn("pdbx_gene_src_cell").getStringData(rowIndex)); | ||
| 1327 | - entityInfo.setOrganismCommon(entitySrcGen.getColumn("gene_src_common_name").getStringData(rowIndex)); | ||
| 1328 | - entityInfo.setOrganismScientific(entitySrcGen.getColumn("pdbx_gene_src_scientific_name").getStringData(rowIndex)); | ||
| 1329 | - entityInfo.setOrganismTaxId(entitySrcGen.getColumn("pdbx_gene_src_ncbi_taxonomy_id").getStringData(rowIndex)); | ||
| 1330 | - entityInfo.setExpressionSystemTaxId(entitySrcGen.getColumn("pdbx_host_org_ncbi_taxonomy_id").getStringData(rowIndex)); | ||
| 1331 | - entityInfo.setExpressionSystem(entitySrcGen.getColumn("pdbx_host_org_scientific_name").getStringData(rowIndex)); | ||
| 1325 | + entityInfo.setAtcc(entitySrcGen.getPdbxGeneSrcAtcc().get(rowIndex)); | ||
| 1326 | + entityInfo.setCell(entitySrcGen.getPdbxGeneSrcCell().get(rowIndex)); | ||
| 1327 | + entityInfo.setOrganismCommon(entitySrcGen.getGeneSrcCommonName().get(rowIndex)); | ||
| 1328 | + entityInfo.setOrganismScientific(entitySrcGen.getPdbxGeneSrcScientificName().get(rowIndex)); | ||
| 1329 | + entityInfo.setOrganismTaxId(entitySrcGen.getPdbxGeneSrcNcbiTaxonomyId().get(rowIndex)); | ||
| 1330 | + entityInfo.setExpressionSystemTaxId(entitySrcGen.getPdbxHostOrgNcbiTaxonomyId().get(rowIndex)); | ||
| 1331 | + entityInfo.setExpressionSystem(entitySrcGen.getPdbxHostOrgScientificName().get(rowIndex)); | ||
| 1332 | 1332 | } | |
| 1333 | 1333 | ||
| 1334 | 1334 | private void setStructNcsOps() { | |
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