Changes in src/analysis_bonds.hpp [220cf37:388049]

File:

• src/analysis_bonds.hpp (modified) (2 diffs)

src/analysis_bonds.hpp

@@ -18 +18 @@
 #endif
 
+/*********************************************** defines ***********************************/
+
+#define HBRIDGEDISTANCE 3.5   //!< HBridge distance from PCCP Vol 10. 4802-4813
 
 /****************************************** forward declarations *****************************/
 
 class element;
+class MoleculeListClass;
 class molecule;
 
@@ -29 +33 @@
 void MinMeanMaxBondDistanceBetweenElements(const molecule *mol, element *type1, element *type2, double &Min, double &Mean, double &Max);
 
+int CountHydrogenBridgeBonds(MoleculeListClass * const molecules, element * InterfaceElement);
+int CountBondsOfTwo(MoleculeListClass * const molecules, const element * const first, const element * const second);
+int CountBondsOfThree(MoleculeListClass * const molecules, const element * const first, const element * const second, const element * const third);
+
 #endif /* ANALYSIS_BONDS_HPP_ */