From f013fe2174e3f94de86e2301daf332dcb6a8944f Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Sun, 31 Dec 2023 15:11:14 +0100
Subject: [PATCH] mmcif writer: remove unnecessary checks
---
modules/io/src/mol/mmcif_writer.cc | 7 -------
modules/io/src/mol/mmcif_writer.hh | 3 ++-
2 files changed, 2 insertions(+), 8 deletions(-)
diff --git a/modules/io/src/mol/mmcif_writer.cc b/modules/io/src/mol/mmcif_writer.cc
index 8d3afe053..6f65f477a 100644
--- a/modules/io/src/mol/mmcif_writer.cc
+++ b/modules/io/src/mol/mmcif_writer.cc
@@ -975,10 +975,6 @@ namespace {
++label_seq_id;
}
- if(res_name != aln[label_seq_id]) {
- throw "ksajdhfgjkaljshdfsfgd";
- }
-
data[2] = ost::io::StarWriterValue::FromString(res_name);
data[3] = ost::io::StarWriterValue::FromInt(label_seq_id + 1);
@@ -1045,9 +1041,6 @@ namespace {
while(aln[label_seq_id] == "-") {
++label_seq_id;
}
- if(comp_id != aln[label_seq_id]) {
- throw "ksajdhfgjkaljshdfsfgd";
- }
}
for(auto at: at_list) {
diff --git a/modules/io/src/mol/mmcif_writer.hh b/modules/io/src/mol/mmcif_writer.hh
index be1109364..8a5986387 100644
--- a/modules/io/src/mol/mmcif_writer.hh
+++ b/modules/io/src/mol/mmcif_writer.hh
@@ -60,7 +60,8 @@ struct MMCifWriterEntity {
// One alignment to mon_ids for each element in asym_ids, i.e. SEQRES-ATOMSEQ
// alignment. Contains "-" for residues that are missing in ATOMSEQ.
- // irrelevant if is_poly is false.
+ // irrelevant if is_poly is false. The assumption is that aligned residues
+ // exactly match with the respective position in mon_ids.
std::vector<std::vector<String> > asym_alns;
};
--
GitLab