Convenience functions to get entity ids in MMCifInfo object

modules/io/pymod/export_mmcif_io.cc

@@ -550,6 +550,8 @@ void export_mmcif_io()
     .def("GetEntityBranchChains", &MMCifInfo::GetEntityBranchChains)
     .def("SetEntityDesc", &MMCifInfo::SetEntityDesc)
     .def("GetEntityDesc", &MMCifInfo::GetEntityDesc, return_value_policy<copy_const_reference>())
+    .def("GetEntityIds", &MMCifInfo::GetEntityIds)
+    .def("GetEntityIdsOfType", &MMCifInfo::GetEntityIdsOfType)
     .add_property("citations", make_function(&MMCifInfo::GetCitations,
                                    return_value_policy<copy_const_reference>()))
     .add_property("biounits", make_function(&MMCifInfo::GetBioUnits,

modules/io/src/mol/mmcif_info.cc

@@ -310,6 +310,24 @@ void MMCifInfo::SetEntityDesc(const String& entity_id,
   entity_desc_[entity_id] = entity_desc;
 }
 
+std::vector<String> MMCifInfo::GetEntityIds() const {
+  std::vector<String> vec;
+  for(auto it: entity_desc_) {
+    vec.push_back(it.first);
+  }
+  return vec;
+}
+
+std::vector<String> MMCifInfo::GetEntityIdsOfType(const String& entity_type) const {
+  std::vector<String> vec;
+  for(auto it: entity_desc_) {
+    if(it.second.entity_type == entity_type) {
+      vec.push_back(it.first);
+    }
+  }
+  return vec;
+}
+
 std::ostream& operator<<(std::ostream& os, const MMCifInfoEntityBranchLink& eb)
 {
   os << "<MMCifInfoEntityBranchLink atom1:" << eb.GetAtom1() << " atom2:"

modules/io/src/mol/mmcif_info.hh

@@ -1233,6 +1233,10 @@ public:
   void SetEntityDesc(const String& entity_id,
                      const MMCifEntityDesc& entity_desc);
 
+  std::vector<String> GetEntityIds() const;
+
+  std::vector<String> GetEntityIdsOfType(const String& type) const;
+
 //protected:
 
 private: