From e155f2684ffa8cf2e801c78eb80abdc253c6fb16 Mon Sep 17 00:00:00 2001
From: Ansgar Philippsen <ansgar.philippsen@gmail.com>
Date: Wed, 5 Sep 2012 13:16:58 -0400
Subject: [PATCH] fixed residue sorting in mae importer
---
modules/io/src/mol/entity_io_mae_handler.cc | 18 +++++++++++++++++-
1 file changed, 17 insertions(+), 1 deletion(-)
diff --git a/modules/io/src/mol/entity_io_mae_handler.cc b/modules/io/src/mol/entity_io_mae_handler.cc
index 6a5306b05..f52a9b6b8 100644
--- a/modules/io/src/mol/entity_io_mae_handler.cc
+++ b/modules/io/src/mol/entity_io_mae_handler.cc
@@ -297,7 +297,23 @@ void MAEReader::parse_and_add_atom(mol::EntityHandle ent,
if(update_residue) {
if (!(curr_residue_=curr_chain_.FindResidue(rnum))) {
- curr_residue_=editor.AppendResidue(curr_chain_, rkey, rnum);
+ if(curr_chain_.GetResidueCount()>0) {
+ int loc=curr_chain_.GetResidueCount()-1;
+ for(;loc>=0;--loc) {
+ if(curr_chain_.GetResidueByIndex(loc).GetNumber()<rnum) break;
+ }
+ if(loc<0) {
+ curr_residue_=editor.InsertResidueBefore(curr_chain_,0,rnum,rkey);
+ } else {
+ curr_residue_=editor.InsertResidueAfter(curr_chain_,loc,rnum,rkey);
+ }
+ if(!curr_residue_) {
+ // this should not happen...
+ curr_residue_=editor.AppendResidue(curr_chain_, rkey, rnum);
+ }
+ } else {
+ curr_residue_=editor.AppendResidue(curr_chain_, rkey, rnum);
+ }
assert(curr_residue_.IsValid());
LOG_TRACE(" new residue " << curr_residue_);
++residue_count_;
--
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