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JAL-2148 further enhancment to CA HETATM processing
author
tcofoegbu
<tcnofoegbu@dundee.ac.uk>
Wed, 31 Aug 2016 13:18:53 +0000
(14:18 +0100)
committer
tcofoegbu
<tcnofoegbu@dundee.ac.uk>
Wed, 31 Aug 2016 13:18:53 +0000
(14:18 +0100)
src/jalview/ext/jmol/JmolParser.java
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diff --git
a/src/jalview/ext/jmol/JmolParser.java
b/src/jalview/ext/jmol/JmolParser.java
index
848e7db
..
7c3ff42
100644
(file)
--- a/
src/jalview/ext/jmol/JmolParser.java
+++ b/
src/jalview/ext/jmol/JmolParser.java
@@
-257,6
+257,10
@@
public class JmolParser extends StructureFile implements JmolStatusListener
// diff < 5 then mark as valid and update termination Atom
if (chainTerMap.containsKey(curAtomChId))
{
// diff < 5 then mark as valid and update termination Atom
if (chainTerMap.containsKey(curAtomChId))
{
+ if (curAtom.getResno() < chainTerMap.get(curAtomChId).getResno())
+ {
+ return false;
+ }
if ((curAtom.getResno() - chainTerMap.get(curAtomChId).getResno()) < 5)
{
chainTerMap.put(curAtomChId, curAtom);
if ((curAtom.getResno() - chainTerMap.get(curAtomChId).getResno()) < 5)
{
chainTerMap.put(curAtomChId, curAtom);
@@
-268,6
+272,10
@@
public class JmolParser extends StructureFile implements JmolStatusListener
// atom with previously terminated chain encountered
else if (chainTerMap.containsKey(curAtomChId))
{
// atom with previously terminated chain encountered
else if (chainTerMap.containsKey(curAtomChId))
{
+ if (curAtom.getResno() < chainTerMap.get(curAtomChId).getResno())
+ {
+ return false;
+ }
if ((curAtom.getResno() - chainTerMap.get(curAtomChId).getResno()) < 5)
{
chainTerMap.put(curAtomChId, curAtom);
if ((curAtom.getResno() - chainTerMap.get(curAtomChId).getResno()) < 5)
{
chainTerMap.put(curAtomChId, curAtom);