Changeset 1fcedd for molecuilder/src

Timestamp:

Nov 7, 2009, 12:17:55 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

e462b3

Parents:

486aa5

Message:

New function bond::GetDistance...()

• bond::GetDistance() and bond::GetDistanceSquared() return distance between bond::leftatom and bond::rightatom.

Location:

molecuilder/src

Files:

• bond.cpp (modified) (1 diff)
• bond.hpp (modified) (1 diff)

molecuilder/src/bond.cpp

@@ -113 +113 @@
   Used = white;
 };
+
+/** Calculates the bond length.
+ * \return |a - b| with a = bond::leftatom and b = bond::rightatom.
+ */
+double bond::GetDistance() const
+{
+  return (leftatom->node->Distance(rightatom->node));
+};
+
+/** Calculates the bond length.
+ * \return |a - b|^2 with a = bond::leftatom and b = bond::rightatom.
+ */
+double bond::GetDistanceSquared() const
+{
+  return (leftatom->node->DistanceSquared(rightatom->node));
+};

molecuilder/src/bond.hpp

@@ -51 +51 @@
   bool Contains(const ParticleInfo * const ptr);
   bool Contains(const int nr);
+  double GetDistance() const;
+  double GetDistanceSquared() const;
 
   bond();