Fix SelectorTmp::getAtomCount() w/ selection name (#323)

Fixes #322
schrodinger · Dec 20, 2023 · 125054d · 125054d
1 parent af77ece
commit 125054d
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Showing 2 changed files with 10 additions and 1 deletion.
diff --git a/layer3/Selector.h b/layer3/Selector.h
@@ -233,7 +233,7 @@ class SelectorTmp {
     SelectorFreeTmp(m_G, m_name);
   }
   const char * getName() const { return m_name; }
-  int getAtomCount() { return m_count; }
+  int getAtomCount();
   SelectorID_t getIndex() const {
     return m_name[0] ? SelectorIndexByName(m_G, m_name, false) : cSelectionInvalid;
   }

diff --git a/layer3/SelectorTmp.cpp b/layer3/SelectorTmp.cpp
@@ -15,6 +15,15 @@ SelectorTmp::SelectorTmp(SelectorTmp&& other)
   assert(other.m_count == -1);
 }
 
+int SelectorTmp::getAtomCount()
+{
+  if (m_count != 0) {
+    return m_count;
+  }
+
+  return SelectorCountAtoms(m_G, getIndex(), cSelectorUpdateTableAllStates);
+}
+
 /**
  * Factory which propagates errors.
  * @param sele Selection expression