diff --git a/modules/img/base/src/point.hh b/modules/img/base/src/point.hh
index 4e96786308e0875f4157a0a580d88787afc9485c..58040f4c5b63c4620480b2042f51b6da118f1eb4 100644
--- a/modules/img/base/src/point.hh
+++ b/modules/img/base/src/point.hh
@@ -168,6 +168,8 @@ public:
bool operator<(const Point &p) const;
+ Point& operator*=(int s) {x*=s;y*=s;z*=s;return *this;}
+
// conversion to vectors
Vec2 ToVec2() const;
Vec3 ToVec3() const;
diff --git a/modules/mol/alg/src/filter_clashes.cc b/modules/mol/alg/src/filter_clashes.cc
index 875db0aa178c32269868638d82e3b2c273380922..b8ec093a81e1d43dde94c81b5b9b9f3e8ba9db41 100644
--- a/modules/mol/alg/src/filter_clashes.cc
+++ b/modules/mol/alg/src/filter_clashes.cc
@@ -89,10 +89,10 @@ std::vector<ClashEvent> ClashingInfo::GetClashList() const
for (std::vector<ClashEvent>::const_iterator cl_it=clash_list_.begin();cl_it!=clash_list_.end();++cl_it) {
UniqueAtomIdentifier atom1 = cl_it->GetFirstAtom();
UniqueAtomIdentifier atom2 = cl_it->GetSecondAtom();
- UAtomIdentifiers check = std::make_pair<UniqueAtomIdentifier,UniqueAtomIdentifier>(atom2,atom1);
+ UAtomIdentifiers check = std::make_pair(atom2,atom1);
if (std::find(seen_list.begin(),seen_list.end(),check)==seen_list.end()) {
return_list.push_back(*cl_it);
- seen_list.push_back(std::make_pair<UniqueAtomIdentifier,UniqueAtomIdentifier>(atom1,atom2));
+ seen_list.push_back(std::make_pair(atom1,atom2));
}
}
return return_list;
@@ -103,7 +103,7 @@ void ClashingDistances::SetClashingDistance(const String& ele1,const String& ele
std::stringstream stkey;
stkey << ele1 << "--" << ele2;
String key=stkey.str();
- min_distance_[key]=std::make_pair<Real,Real>(min_distance,tolerance);
+ min_distance_[key]=std::make_pair(min_distance,tolerance);
}
std::pair<Real,Real> ClashingDistances::GetClashingDistance(const String& ele1,const String& ele2) const
@@ -160,13 +160,13 @@ bool ClashingDistances::IsEmpty() const
void StereoChemicalParams::SetParam(const String& param, const String& residue, Real value, Real st_dev)
{
- std::pair<String,String> key = std::make_pair<String,String>(param,residue);
- params_[key]=std::make_pair<Real,Real>(value,st_dev);
+ std::pair<String,String> key = std::make_pair(param,residue);
+ params_[key]=std::make_pair(value,st_dev);
}
std::pair<Real,Real> StereoChemicalParams::GetParam(const String& param,const String& residue) const
{
- std::pair<String,String> key = std::make_pair<String,String>(param,residue);
+ 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);
if (find_ci == params_.end()) {
std::stringstream serr;
@@ -178,7 +178,7 @@ 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<String,String>(param,residue);
+ 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);
if (find_ci == params_.end()) {
return false;
@@ -402,7 +402,7 @@ std::pair<EntityView,StereoChemistryInfo> CheckStereoChemistry(const EntityView&
bad_bond_count++;
UniqueAtomIdentifier atom_ui(atom.GetResidue().GetChain().GetName(),atom.GetResidue().GetNumber(),atom.GetResidue().GetName(),atom.GetName());
UniqueAtomIdentifier other_atom_ui(other_atom.GetResidue().GetChain().GetName(),other_atom.GetResidue().GetNumber(),other_atom.GetResidue().GetName(),other_atom.GetName());
- StereoChemicalBondViolation bond_v(atom_ui,other_atom_ui,blength,std::make_pair<Real,Real>(min_length,max_length));
+ StereoChemicalBondViolation bond_v(atom_ui,other_atom_ui,blength,std::make_pair(min_length,max_length));
bond_violation_list.push_back(bond_v);
remove_sc=true;
if (always_remove_bb==true) {
@@ -472,7 +472,7 @@ std::pair<EntityView,StereoChemistryInfo> CheckStereoChemistry(const EntityView&
UniqueAtomIdentifier atom1_ui(atom1.GetResidue().GetChain().GetName(),atom1.GetResidue().GetNumber(),atom1.GetResidue().GetName(),atom1.GetName());
UniqueAtomIdentifier atom_ui(atom.GetResidue().GetChain().GetName(),atom.GetResidue().GetNumber(),atom.GetResidue().GetName(),atom.GetName());
UniqueAtomIdentifier atom2_ui(atom2.GetResidue().GetChain().GetName(),atom2.GetResidue().GetNumber(),atom2.GetResidue().GetName(),atom2.GetName());
- StereoChemicalAngleViolation angle_v(atom1_ui,atom_ui,atom2_ui,awidth,std::make_pair<Real,Real>(min_width,max_width));
+ StereoChemicalAngleViolation angle_v(atom1_ui,atom_ui,atom2_ui,awidth,std::make_pair(min_width,max_width));
angle_violation_list.push_back(angle_v);
remove_sc=true;
if (always_remove_bb==true) {
@@ -529,7 +529,7 @@ std::pair<EntityView,StereoChemistryInfo> CheckStereoChemistry(const EntityView&
bad_angle_count, angle_count,avg_bond_length_info,
bond_violation_list,angle_violation_list);
filtered.AddAllInclusiveBonds();
- return std::make_pair<EntityView,StereoChemistryInfo>(filtered,info);
+ return std::make_pair(filtered,info);
}
@@ -639,7 +639,7 @@ std::pair<EntityView,ClashingInfo> FilterClashes(const EntityView& ent, const Cl
}
ClashingInfo info(bad_distance_count,average_offset,clash_list);
filtered.AddAllInclusiveBonds();
- return std::make_pair<EntityView,ClashingInfo>(filtered,info);
+ return std::make_pair(filtered,info);
}
diff --git a/modules/mol/alg/src/lddt.cc b/modules/mol/alg/src/lddt.cc
index b98fa7d7c14217edb0cabcc47d7b3b695f52c9c9..da1d8b311eb4103f664eef7bf24d0eaff2f2aa46 100644
--- a/modules/mol/alg/src/lddt.cc
+++ b/modules/mol/alg/src/lddt.cc
@@ -96,9 +96,9 @@ std::pair<int,int> compute_coverage (const EntityView& v,const GlobalRDMap& glob
int first=0;
if (v.GetResidueList().size()==0) {
if (glob_dist_list.size()==0) {
- return std::make_pair<int,int>(0,-1);
+ return std::make_pair(0,-1);
} else {
- return std::make_pair<int,int>(0,glob_dist_list.size());
+ return std::make_pair(0,glob_dist_list.size());
}
}
ChainView vchain=v.GetChainList()[0];
@@ -110,7 +110,7 @@ std::pair<int,int> compute_coverage (const EntityView& v,const GlobalRDMap& glob
first++;
}
}
- return std::make_pair<int,int>(first,second);
+ return std::make_pair(first,second);
}
bool is_resnum_in_globalrdmap(const ResNum& resnum, const GlobalRDMap& glob_dist_list)
diff --git a/modules/mol/alg/src/local_dist_diff_test.cc b/modules/mol/alg/src/local_dist_diff_test.cc
index 2bf01896c77f29d48306946ad850027d02083a89..aad66e7a639e265256fe5511a628203f2e57df53 100644
--- a/modules/mol/alg/src/local_dist_diff_test.cc
+++ b/modules/mol/alg/src/local_dist_diff_test.cc
@@ -367,8 +367,8 @@ GlobalRDMap CreateDistanceList(const EntityView& ref,Real max_dist)
continue;
}
Real dist=geom::Length(ai->GetPos()-aj->GetPos());
- UAtomIdentifiers atoms = std::make_pair<UniqueAtomIdentifier,UniqueAtomIdentifier>(first_atom,second_atom);
- std::pair<Real,Real> values = std::make_pair<Real,Real>(dist,dist);
+ UAtomIdentifiers atoms = std::make_pair(first_atom,second_atom);
+ std::pair<Real,Real> values = std::make_pair(dist,dist);
res_dist_list[atoms]=values;
}
}
@@ -424,11 +424,11 @@ std::pair<long int,long int> LocalDistDiffTest(const EntityView& mdl, const Glob
{
if (!mdl.GetResidueCount()) {
LOG_WARNING("model structures doesn't contain any residues");
- return std::make_pair<long int,long int>(0,0);
+ return std::make_pair(0,0);
}
if (glob_dist_list.size()==0) {
LOG_WARNING("global reference list is empty");
- return std::make_pair<long int,long int>(0,0);
+ return std::make_pair(0,0);
}
std::vector<std::pair<long int, long int> > overlap_list(mdl.GetResidueCount(), std::pair<long int, long int>(0, 0));
check_and_swap(glob_dist_list,mdl,cutoff_list,sequence_separation,overlap_list);
@@ -460,7 +460,7 @@ std::pair<long int,long int> LocalDistDiffTest(const EntityView& mdl, const Glob
}
}
overlap_list.clear();
- return std::make_pair<long int,long int>(total_ov.first,total_ov.second);
+ return std::make_pair(total_ov.first,total_ov.second);
}
Real LocalDistDiffTest(const EntityView& mdl, const EntityView& target, Real cutoff, Real max_dist, const String& local_lddt_property_string)