From 7c1d3386913428b69bf34b1fff884eaa47534421 Mon Sep 17 00:00:00 2001
From: Valerio Mariani <valerio.mariani@unibas.ch>
Date: Mon, 4 Feb 2013 18:38:34 +0100
Subject: [PATCH] Fixed detailed residue count when coverage equal to 0
---
modules/mol/alg/src/lddt.cc | 13 +++++++++++--
1 file changed, 11 insertions(+), 2 deletions(-)
diff --git a/modules/mol/alg/src/lddt.cc b/modules/mol/alg/src/lddt.cc
index caaf7d51f..c846af679 100644
--- a/modules/mol/alg/src/lddt.cc
+++ b/modules/mol/alg/src/lddt.cc
@@ -96,7 +96,11 @@ std::pair<int,int> compute_coverage (const EntityView& v,const GlobalRDMap& glob
int second=0;
int first=0;
if (v.GetResidueList().size()==0) {
- return std::make_pair<int,int>(0,1);
+ if (glob_dist_list.size()==0) {
+ return std::make_pair<int,int>(0,-1);
+ } else {
+ return std::make_pair<int,int>(0,glob_dist_list.size());
+ }
}
ChainView vchain=v.GetChainList()[0];
for (GlobalRDMap::const_iterator i=glob_dist_list.begin();i!=glob_dist_list.end();++i)
@@ -271,6 +275,7 @@ int main (int argc, char **argv)
std::cout << "Stereo-chemical and steric clash checks: Off " << std::endl;
}
std::cout << "Inclusion Radius: " << radius << std::endl;
+
std::cout << "Sequence separation: " << sequence_separation << std::endl;
if (structural_checks) {
std::cout << "Parameter filename: " << parameter_filename << std::endl;
@@ -312,7 +317,11 @@ int main (int argc, char **argv)
String filestring=BFPathToString(pathstring);
std::cout << "File: " << files[i] << std::endl;
std::pair<int,int> cov = compute_coverage(v,glob_dist_list);
- std::cout << "Coverage: " << (float(cov.first)/float(cov.second)) << " (" << cov.first << " out of " << cov.second << " residues)" << std::endl;
+ if (cov.second == -1) {
+ std::cout << "Coverage: 0 (0 out of 0 residues)" << std::endl;
+ } else {
+ std::cout << "Coverage: " << (float(cov.first)/float(cov.second)) << " (" << cov.first << " out of " << cov.second << " residues)" << std::endl;
+ }
if (structural_checks) {
// reads in parameter files
--
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