From 944817be2e0685c0770374b05b1f430985b60863 Mon Sep 17 00:00:00 2001
From: Andreas Schenk <andreas_schenk@hms.harvard.edu>
Date: Mon, 13 May 2013 22:38:06 -0400
Subject: [PATCH] fixed filter clashes to compile with double precision enabled
---
modules/mol/alg/src/filter_clashes.cc | 12 ++++++------
1 file changed, 6 insertions(+), 6 deletions(-)
diff --git a/modules/mol/alg/src/filter_clashes.cc b/modules/mol/alg/src/filter_clashes.cc
index b8ec093a8..e2e84fb29 100644
--- a/modules/mol/alg/src/filter_clashes.cc
+++ b/modules/mol/alg/src/filter_clashes.cc
@@ -115,7 +115,7 @@ std::pair<Real,Real> ClashingDistances::GetClashingDistance(const String& ele1,c
stkey << ele2 << "--" << ele1;
}
String key=stkey.str();
- std::map <String,std::pair<float,float> >::const_iterator find_ci= min_distance_.find(key);
+ std::map <String,std::pair<Real,Real> >::const_iterator find_ci= min_distance_.find(key);
if (find_ci == min_distance_.end()) {
std::stringstream serr;
serr << "Entry for distance " << stkey << " not found in the parameter table";
@@ -132,7 +132,7 @@ Real ClashingDistances::GetAdjustedClashingDistance(const String& ele1,const Str
void ClashingDistances::PrintAllDistances() const
{
- for (std::map <String,std::pair<float,float> >::const_iterator index = min_distance_.begin();index != min_distance_.end();++index) {
+ for (std::map <String,std::pair<Real,Real> >::const_iterator index = min_distance_.begin();index != min_distance_.end();++index) {
std::cout << index->first << "\t" << index->second.first << "\t" << index->second.second << std::endl;
}
}
@@ -140,7 +140,7 @@ void ClashingDistances::PrintAllDistances() const
Real ClashingDistances::GetMaxAdjustedDistance() const
{
Real max_adjusted_distance=0;
- for (std::map <String,std::pair<float,float> >::const_iterator index = min_distance_.begin();index != min_distance_.end();++index) {
+ for (std::map <String,std::pair<Real,Real> >::const_iterator index = min_distance_.begin();index != min_distance_.end();++index) {
Real distance = index->second.first;
Real tolerance = index->second.second;
if ((distance-tolerance) > max_adjusted_distance) {
@@ -167,7 +167,7 @@ void StereoChemicalParams::SetParam(const String& param, const String& residue,
std::pair<Real,Real> StereoChemicalParams::GetParam(const String& param,const String& residue) const
{
std::pair<String,String> key = std::make_pair(param,residue);
- std::map<std::pair<String,String>,std::pair<float,float> >::const_iterator find_ci = params_.find(key);
+ std::map<std::pair<String,String>,std::pair<Real,Real> >::const_iterator find_ci = params_.find(key);
if (find_ci == params_.end()) {
std::stringstream serr;
serr << "Entry " << param << " for residue " << residue << " not found in the parameter table";
@@ -179,7 +179,7 @@ std::pair<Real,Real> StereoChemicalParams::GetParam(const String& param,const St
bool StereoChemicalParams::ContainsParam(const String& param,const String& residue) const
{
std::pair<String,String> key = std::make_pair(param,residue);
- std::map<std::pair<String,String>,std::pair<float,float> >::const_iterator find_ci = params_.find(key);
+ std::map<std::pair<String,String>,std::pair<Real,Real> >::const_iterator find_ci = params_.find(key);
if (find_ci == params_.end()) {
return false;
}
@@ -188,7 +188,7 @@ bool StereoChemicalParams::ContainsParam(const String& param,const String& resid
void StereoChemicalParams::PrintAllParameters() const
{
- for (std::map <std::pair<String,String>,std::pair<float,float> >::const_iterator index = params_.begin();index != params_.end();++index) {
+ for (std::map <std::pair<String,String>,std::pair<Real,Real> >::const_iterator index = params_.begin();index != params_.end();++index) {
std::cout << index->first.first << "\t" << index->first.second << "\t" << index->second.first << "\t" << index->second.second << std::endl;
}
};
--
GitLab