From 24e64adf31fd18fa8f2dbc5505bc0bb4ca582632 Mon Sep 17 00:00:00 2001
From: Valerio Mariani <valerio.mariani@unibas.ch>
Date: Thu, 28 Feb 2013 14:46:46 +0100
Subject: [PATCH] Return with an error message if reference structure has no
valid distance to check
---
modules/mol/alg/src/lddt.cc | 6 ++++++
1 file changed, 6 insertions(+)
diff --git a/modules/mol/alg/src/lddt.cc b/modules/mol/alg/src/lddt.cc
index ca171dbc8..ebf1a6e89 100644
--- a/modules/mol/alg/src/lddt.cc
+++ b/modules/mol/alg/src/lddt.cc
@@ -301,6 +301,12 @@ int main (int argc, char **argv)
}
LOG_INFO("LDDT INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 ModelDist TargetDist Difference Tolerance Status");
+ // error if the reference structure is empty
+ if (glob_dist_list.size()==0) {
+ std::cout << "ERROR: No valid distance to check in the reference structure(s). Please check that the first chain of the reference structure(s) contains a peptide." << std::endl;
+ exit(-1);
+ }
+
// cycles through the models to evaluate
for (size_t i=0; i<files.size(); ++i) {
EntityHandle model=load(files[i], profile);
--
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