preempt some read/write data file bugs

currently, require all type labels (for all interactions) to be defined, if any are, when reading data files
2021-01-31 20:44:19 -05:00
parent 4f219a94aa
commit ffa46ad951
5 changed files with 79 additions and 16 deletions
--- a/src/label_map.h
+++ b/src/label_map.h
@ -48,6 +48,7 @@ class LabelMap : protected Pointers {
   int find_or_create(std::string, std::vector<std::string> &, int); // look up type or create new type
   int find(std::string, int);                                       // find numeric type of type label
   int search(std::string, std::vector<std::string>, int);           // look up type index
+   int is_complete();                                                // check if all types are assigned

   // input/output for atom class label map