Add readProperties method for copying basis, etc. but not atoms

Signed-off-by: Geoff Hutchison <[email protected]>

avogadro/core/molecule.cpp

@@ -9,6 +9,7 @@
 #include "color3f.h"
 #include "cube.h"
 #include "elements.h"
+#include "gaussianset.h"
 #include "layermanager.h"
 #include "mdlvalence_p.h"
 #include "mesh.h"
@@ -74,6 +75,39 @@ Molecule::Molecule(const Molecule& other)
   }
 }
 
+void Molecule::readProperties(const Molecule& other)
+{
+  m_data = other.m_data;
+  m_partialCharges = other.m_partialCharges;
+  m_label = other.m_label;
+  m_colors = other.m_colors;
+
+  // copy orbital information
+  GaussianSet *gaussianSet = dynamic_cast<GaussianSet*>(other.m_basisSet);
+  if (gaussianSet) {
+    m_basisSet = gaussianSet->clone();
+    m_basisSet->setMolecule(this);
+  }
+
+  // copy spectra information
+  m_vibrationFrequencies = other.m_vibrationFrequencies;
+  m_vibrationIRIntensities = other.m_vibrationIRIntensities;
+  m_vibrationRamanIntensities = other.m_vibrationRamanIntensities;
+  m_vibrationLx = other.m_vibrationLx;
+
+  // Copy over any meshes
+  for (Index i = 0; i < other.meshCount(); ++i) {
+    Mesh* m = addMesh();
+    *m = *other.mesh(i);
+  }
+
+  // Copy over any cubes
+  for (Index i = 0; i < other.cubeCount(); ++i) {
+    Cube* c = addCube();
+    *c = *other.cube(i);
+  }
+}
+
 Molecule::Molecule(Molecule&& other) noexcept
   : m_data(other.m_data), m_partialCharges(std::move(other.m_partialCharges)),
     m_customElementMap(std::move(other.m_customElementMap)),

avogadro/core/molecule.h

@@ -73,6 +73,13 @@ class AVOGADROCORE_EXPORT Molecule
   /** Destroys the molecule object. */
   virtual ~Molecule();
 
+  /** 
+   * Adds the properties from the supplied
+   * molecule to this molecule. Does not otherwise
+   * modify atoms / bonds / residues, etc.
+   */
+  void readProperties(const Molecule& other);
+
   /** Sets the data value with @p name to @p value. */
   void setData(const std::string& name, const Variant& value);