Counting structures

structure.cpp

@@ -199,7 +199,6 @@ int Structure::next_structure(std::ifstream &ifs) {
   while(std::getline(ifs,line)) {
     if(line.empty()) break;
     if(line == "\r") break;     // detects windows newline
-
   }
   return 0;
 }

structure.h

@@ -259,7 +259,7 @@ struct Structure {
     // move iterator forward to the next structure
     // return 0 if success
     // return 1 if there is no more structures
-    static int next_structure(std::ifstream &ifs) const;
+    static int next_structure(std::ifstream &ifs);
 
     private:
     const static size_t w=15;  // controls output width

structure_db.cpp

@@ -78,14 +78,14 @@ std::unordered_set<Element> StructureDB::get_unique_elements() {
             st.unique_elements.begin(),st.unique_elements.end());
     return s;
 }
-int StructureDB::count_structures(const Config &c) {
+int StructureDB::count_structures(const Config &config) {
   int count=0;
-  for (const std::string &s : config("DBFILE")) {
-    count += count_structures(fn)''
+  for (const std::string &fn : config("DBFILE")) {
+    count += count_structures(fn);
   }
   return count;
 }
-int StructureDB::count_structures(const std::string fn) const {
+int StructureDB::count_structures(const std::string fn){
   int count=0;
 
   std::ifstream ifs(fn);
@@ -93,7 +93,7 @@ int StructureDB::count_structures(const std::string fn) const {
     throw std::runtime_error("DBFILE does not exist: "+fn);
   }
 
-  while(Structure::next_structure(ifs)) {
+  while(!Structure::next_structure(ifs)) {
     count++;
   }
 

structure_db.h

@@ -124,7 +124,7 @@ struct StructureDB {
     /** Return unique elements for all Structures */
     std::unordered_set<Element> get_unique_elements();
 
-    static int count_structures(const Config &c) const;
-    static int count_structures(const std::string fn) const;
+    static int count_structures(const Config &c);
+    static int count_structures(const std::string fn);
 };
 #endif