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1 parent 7c03622 commit 818354e
2 files changed
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
@@ -21,18 +21,6 @@ | |||
| 21 | 21 | import static org.junit.Assert.*; | |
| 22 | 22 | ||
| 23 | 23 | public class CifFileConsumerImplTest { | |
| 24 | - /** | ||
| 25 | - * java.lang.NullPointerException - failed for /var/bcif/hm/2hmz.bcif | ||
| 26 | - */ | ||
| 27 | - @Test | ||
| 28 | - @Ignore("ignored for now as Bcif file source may change - currently using local files") | ||
| 29 | - public void testAltLocCleanup() throws IOException, StructureException { | ||
| 30 | - StructureIO.getAtomCache().setUseMmCif(true); | ||
| 31 | - StructureIO.getStructure("2hmz"); | ||
| 32 | - Structure cif = loadLocalCif("2hmz"); | ||
| 33 | - Structure bcif = loadLocalBcif("2hmz"); | ||
| 34 | - } | ||
| 35 | - | ||
| 36 | 24 | /** | |
| 37 | 25 | * java.lang.NumberFormatException: multiple points have been thrown. | |
| 38 | 26 | */ | |
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
@@ -316,6 +316,7 @@ private Group getAltLocGroup(String recordName, Character altLoc, Character oneL | |||
| 316 | 316 | } | |
| 317 | 317 | ||
| 318 | 318 | Group altLocGroup = createGroup(recordName, oneLetterCode, threeLetterCode, seqId); | |
| 319 | + altLocGroup.setPDBName(threeLetterCode); | ||
| 319 | 320 | altLocGroup.setResidueNumber(currentGroup.getResidueNumber()); | |
| 320 | 321 | currentGroup.addAltLoc(altLocGroup); | |
| 321 | 322 | return altLocGroup; | |
@@ -677,7 +678,6 @@ public void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRe | |||
| 677 | 678 | if (pdbxAuditRevisionHistory.getOrdinal().get(rowIndex) == 1) { | |
| 678 | 679 | String release = pdbxAuditRevisionHistory.getRevisionDate().get(rowIndex); | |
| 679 | 680 | try { | |
| 680 | - // TODO java.lang.NumberFormatException: multiple points - failed for /var/bcif/z4/1z4s.bcif, failed for /var/bcif/he/4hec.bcif | ||
| 681 | 681 | Date releaseDate = DATE_FORMAT.parse(release); | |
| 682 | 682 | pdbHeader.setRelDate(releaseDate); | |
| 683 | 683 | } catch (ParseException e) { | |
@@ -689,7 +689,6 @@ public void consumePdbxAuditRevisionHistory(PdbxAuditRevisionHistory pdbxAuditRe | |||
| 689 | 689 | // the last revision date will "stick" | |
| 690 | 690 | String revision = pdbxAuditRevisionHistory.getRevisionDate().get(rowIndex); | |
| 691 | 691 | try { | |
| 692 | - // TODO java.lang.NumberFormatException: multiple points - failed for /var/bcif/dz/1dzw.bcif, failed for /var/bcif/y2/2y28.bcif | ||
| 693 | 692 | Date revisionDate = DATE_FORMAT.parse(revision); | |
| 694 | 693 | pdbHeader.setModDate(revisionDate); | |
| 695 | 694 | } catch (ParseException e) { | |
@@ -713,7 +712,6 @@ public void consumePdbxDatabaseStatus(PdbxDatabaseStatus pdbxDatabaseStatus) { | |||
| 713 | 712 | String deposition = recvdInitialDepositionDate.get(rowIndex); | |
| 714 | 713 | ||
| 715 | 714 | try { | |
| 716 | - // TODO failed for /var/bcif/z4/2z4j.bcif java.lang.NumberFormatException: For input string: ".202717E4202717E4" | ||
| 717 | 715 | Date depositionDate = DATE_FORMAT.parse(deposition); | |
| 718 | 716 | pdbHeader.setDepDate(depositionDate); | |
| 719 | 717 | } catch (ParseException e) { | |
@@ -1112,6 +1110,15 @@ public void finish() { | |||
| 1112 | 1110 | SeqRes2AtomAligner.storeUnAlignedSeqRes(structure, seqResChains, params.isHeaderOnly()); | |
| 1113 | 1111 | } | |
| 1114 | 1112 | ||
| 1113 | + structure.getChains() | ||
| 1114 | + .stream() | ||
| 1115 | + .map(Chain::getAtomGroups) | ||
| 1116 | + .flatMap(Collection::stream) | ||
| 1117 | + .filter(Group::hasAltLoc) | ||
| 1118 | + .map(Group::getAltLocs) | ||
| 1119 | + .flatMap(Collection::stream) | ||
| 1120 | + .forEach(System.out::println); | ||
| 1121 | + | ||
| 1115 | 1122 | // Now make sure all altlocgroups have all the atoms in all the groups | |
| 1116 | 1123 | StructureTools.cleanUpAltLocs(structure); | |
| 1117 | 1124 | ||
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