Event enumeration

include/casm/configuration/occ_events/OccEventCounter.hh

@@ -67,6 +67,7 @@ struct OccEventCounterParameters {
   std::optional<int> required_cluster_size;
   std::optional<std::set<int>> excluded_sublattices;
   std::optional<std::set<int>> required_sublattices;
+  std::optional<int> n_required_sublattices;
 
   /// \brief Optional customizeable filter to skip or allow events
   ///     based on the cluster. Return true to allow,

python/libcasm/occ_events/_methods.py

@@ -180,8 +180,15 @@ def make_canonical_prim_periodic_occevents(
 
         Filter by sublattice, using sublattice indices:
 
-        - "excluded_sublattices": Optional[list[int]] = None
-        - "required_sublattices": Optional[list[int]] = None
+        - "excluded_sublattices": Optional[list[int]] = None, Do not include
+          events that contain any of these sublattices.
+        - "required_sublattices": Optional[list[int]] = None, Only include
+          events that contain these sublattices. Events may contain additional
+          sublattices not specified in `required_sublattices`.
+        - "n_required_sublattices": Optional[int] = None, Set how many
+          sublattices from `required_sublattices` the event must contain.
+          The default is that the event must contain every sublattice in
+          `required_sublattices`.
 
         Filter by occupation, using occupation variable on each cluster site:
 

src/casm/configuration/occ_events/OccEventCounter.cc

@@ -121,7 +121,7 @@ class PrototypeClusterCounter : public SingleStepBase<OccEventCounterData> {
     return false;
   }
 
-  /// \brief Check if cluster does not include any
+  /// \brief Check if cluster includes sufficient number of
   ///     required sublattice (required_sublattices)
   bool fails_required_sublattices() const {
     if (!data()->params.required_sublattices.has_value()) {
@@ -137,10 +137,20 @@ class PrototypeClusterCounter : public SingleStepBase<OccEventCounterData> {
       if (it != has_sublattice.end()) {
         it->second = true;
       }
+    } 
+    // require at least n_required_sublattices matches
+    // of sublattices in required_sublattices
+    int misses_remaining = 0; // default must match all (no misses)
+    if (data()->params.n_required_sublattices.has_value()) {
+      int n_required_sublattices = *data()->params.n_required_sublattices;
+      misses_remaining =
+          static_cast<int>(has_sublattice.size()) - n_required_sublattices;
     }
     for (auto const &pair : has_sublattice) {
       if (pair.second == false) {
-        return true;
+        if (--misses_remaining < 0) {
+          return true;
+        }
       }
     }
     return false;
@@ -254,7 +264,7 @@ class OccInitCounter : public SingleStepBase<OccEventCounterData> {
   /// \brief Check if initial occupation satisifies
   ///     required occupation (required_occ_init)
   bool fails_required_occ_init() const {
-    if (!data()->params.required_init_atom_count.has_value()) {
+    if (!data()->params.required_occ_init.has_value()) {
       return false;
     }
     std::vector<int> const &occ_init = data()->occ_init_counter();

src/casm/configuration/occ_events/io/json/OccEventCounter_json_io.cc

@@ -75,6 +75,7 @@ jsonParser &to_json(occ_events::OccEventCounterParameters const &params,
   _to_json(params.required_cluster_size, "required_cluster_size");
   _to_json(params.excluded_sublattices, "excluded_sublattices");
   _to_json(params.required_sublattices, "required_sublattices");
+  _to_json(params.n_required_sublattices, "n_required_sublattices");
 
   _to_json(params.required_occ_init, "required_occ_init");
 
@@ -141,6 +142,7 @@ void parse(InputParser<occ_events::OccEventCounterParameters> &parser) {
   parser.optional(params.required_cluster_size, "required_cluster_size");
   parser.optional(params.excluded_sublattices, "excluded_sublattices");
   parser.optional(params.required_sublattices, "required_sublattices");
+  parser.optional(params.n_required_sublattices, "n_required_sublattices");
 
   parser.optional(params.required_occ_init, "required_occ_init");