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Commit 21903277 authored by Valerio Mariani's avatar Valerio Mariani
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Fixed a couple of bugs in ldt

parent 05269506
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......@@ -234,7 +234,7 @@ int main (int argc, char **argv)
EntityView model2=model.Select("aname!=CEN,NV,OT1,OT,CAY,CY,OXT,1OCT,NT,OT2,2OCT,OVL1,OC1,O1,OC2,O2,OVU1");
EntityView v1=model2.Select("not (rname==GLY and aname==CB)");
boost::filesystem::path pathstring(files[i]);
String filestring=pathstring.filename();
String filestring=pathstring.filename().string();
if (filestring.substr(5,5)=="TS257" || filestring.substr(5,5)=="TS458" ) {
for (AtomHandleIter ait=v1.GetHandle().AtomsBegin();ait!=v1.GetHandle().AtomsEnd();++ait){
AtomHandle aitv = *ait;
......
......@@ -59,9 +59,9 @@ std::pair<bool,Real> within_tolerance(Real mdl_dist, const ReferenceDistance& re
Real difference = 0;
if (mdl_dist>=min && mdl_dist <=max) {
within_tol=true;
} else if (mdl_dist < min && abs(min-mdl_dist) < tol) {
} else if (mdl_dist < min && std::abs(min-mdl_dist) < tol) {
within_tol = true;
} else if (mdl_dist > max && abs(mdl_dist-max) < tol) {
} else if (mdl_dist > max && std::abs(mdl_dist-max) < tol) {
within_tol = true;
}
if (within_tol == false) {
......
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