From e9c6f468b99a2b0e19d90bceb804c2dabecfc40d Mon Sep 17 00:00:00 2001
From: Valerio Mariani <valerio.mariani@unibas.ch>
Date: Tue, 3 Jul 2012 11:35:34 +0200
Subject: [PATCH] Exceptions raised during the structure quality checks are now
caught
---
modules/mol/alg/src/lddt.cc | 16 ++++++++++++++--
1 file changed, 14 insertions(+), 2 deletions(-)
diff --git a/modules/mol/alg/src/lddt.cc b/modules/mol/alg/src/lddt.cc
index 7405d993f..214298904 100644
--- a/modules/mol/alg/src/lddt.cc
+++ b/modules/mol/alg/src/lddt.cc
@@ -325,10 +325,22 @@ int main (int argc, char **argv)
exit(-1);
}
// performs structural checks and filters the structure
- v=alg::CheckStereoChemistry(v,bond_table,angle_table,bond_tolerance,angle_tolerance);
+ try {
+ v=alg::CheckStereoChemistry(v,bond_table,angle_table,bond_tolerance,angle_tolerance);
+ } catch (std::exception& e) {
+ std::cout << "An error occurred during the structure quality checks, stage 1:" << std::endl;
+ std::cout << e.what() << std::endl;
+ exit(-1);
+ }
cov = compute_coverage(v,glob_dist_list);
std::cout << "Coverage after stereo-chemical checks: " << (float(cov.first)/float(cov.second)) << " (" << cov.first << " out of " << cov.second << " residues)" << std::endl;
- v=alg::FilterClashes(v,nonbonded_table);
+ try {
+ v=alg::FilterClashes(v,nonbonded_table);
+ } catch (std::exception& e) {
+ std::cout << "An error occurred during the structure quality checks, stage 2:" << std::endl;
+ std::cout << e.what() << std::endl;
+ exit(-1);
+ }
cov = compute_coverage(v,glob_dist_list);
std::cout << "Coverage after clashing checks: " << (float(cov.first)/float(cov.second)) << " (" << cov.first << " out of " << cov.second << " residues)" << std::endl;
}
--
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