sadsad

diff --git a/src/dssptools.cpp b/src/dssptools.cpp
index 506d19acdd6db5b8c776dabe27682d10a48ae0de..1e0da806b09d68659caf9556c1f3780b9f29bbcc 100644 (file)
--- a/src/dssptools.cpp
+++ b/src/dssptools.cpp
@@ -72,9 +72,7 @@ void ResInfo::setIndex(backboneAtomTypes atomTypeName, std::size_t atomIndex)
 {
    _ResInfo.at(static_cast<std::size_t>(atomTypeName)) = atomIndex;
 }
-void ResInfo::setInfo(const t_resinfo &info){
-    *resinfo = info;
-}
+
 std::size_t ResInfo::getIndex(backboneAtomTypes atomTypeName) const
 {
    return _ResInfo[static_cast<std::size_t>(atomTypeName)];
@@ -647,8 +645,8 @@ void DsspTool::initAnalysis(/*const TrajectoryAnalysisSettings &settings,*/const
    IndexMap.resize(0);
    IndexMap.push_back(_backboneAtoms);
    std::cout << "Trouble :(" << std::endl;
-   IndexMap[i].setInfo(top.atoms()->resinfo[i]); // bad :(
-   std::cout << "Something ended" << std::endl;
+   *(IndexMap[i].resinfo) = top.atoms()->resinfo[resicompare];
+   std::cout << "First resi is " << IndexMap[i].resinfo->name << std::endl;
 
    for (gmx::ArrayRef<const int>::iterator ai{ initParams.sel_.atomIndices().begin() }; (ai != initParams.sel_.atomIndices().end()); ++ai){
        if (resicompare != top.atoms()->atom[static_cast<std::size_t>(*ai)].resind)

diff --git a/src/dssptools.h b/src/dssptools.h
index 6431b9b6742d6277b7819e5a2ad98401b0afa819..1f6692e4a789946a0e65ac20bc9924882396a6d7 100644 (file)
--- a/src/dssptools.h
+++ b/src/dssptools.h
@@ -111,7 +111,6 @@ class ResInfo
 {
 public:
    void   setIndex(backboneAtomTypes atomTypeName, std::size_t atomIndex);
-   void   setInfo(const t_resinfo &info);
    std::size_t getIndex(backboneAtomTypes atomTypeName) const;
 
    t_resinfo                                                                    *resinfo, *donor[2]{nullptr, nullptr}, *acceptor[2]{nullptr, nullptr};