Fix variant unit tests

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

avogadro/core/variant-inline.h

@@ -8,7 +8,6 @@
 
 #include "variant.h"
 
-#include <iostream>
 #include <sstream>
 
 namespace Avogadro::Core {
@@ -22,7 +21,7 @@ inline Variant::Variant(double x, double y, double z) : m_type(Vector)
 }
 
 template <typename T>
-inline Variant::Variant(const T v) : m_type(Null)
+inline Variant::Variant(T v) : m_type(Null)
 {
   setValue(v);
 }
@@ -41,14 +40,6 @@ inline Variant::Variant(const MatrixXf& v) : m_type(Matrix)
   m_value.matrix = m;
 }
 
-template <>
-inline Variant::Variant(const MatrixX& v) : m_type(Matrix)
-{
-  MatrixX* m = new MatrixX(v.rows(), v.cols());
-  *m = v;
-  m_value.matrix = m;
-}
-
 template <>
 inline Variant::Variant(const Vector3& v) : m_type(Vector)
 {
@@ -101,7 +92,7 @@ inline bool Variant::setValue(double x, double y, double z)
 }
 
 template <typename T>
-inline bool Variant::setValue(const T v)
+inline bool Variant::setValue(T v)
 {
   AVO_UNUSED(v);
 
@@ -121,7 +112,7 @@ inline bool Variant::setValue(const T v)
 }
 
 template <>
-inline bool Variant::setValue(const bool v)
+inline bool Variant::setValue(bool v)
 {
   clear();
 
@@ -132,7 +123,7 @@ inline bool Variant::setValue(const bool v)
 }
 
 template <>
-inline bool Variant::setValue(const char v)
+inline bool Variant::setValue(char v)
 {
   clear();
 
@@ -143,7 +134,7 @@ inline bool Variant::setValue(const char v)
 }
 
 template <>
-inline bool Variant::setValue(const short v)
+inline bool Variant::setValue(short v)
 {
   clear();
 
@@ -154,7 +145,7 @@ inline bool Variant::setValue(const short v)
 }
 
 template <>
-inline bool Variant::setValue(const int v)
+inline bool Variant::setValue(int v)
 {
   clear();
 
@@ -165,7 +156,7 @@ inline bool Variant::setValue(const int v)
 }
 
 template <>
-inline bool Variant::setValue(const long v)
+inline bool Variant::setValue(long v)
 {
   clear();
 
@@ -176,7 +167,7 @@ inline bool Variant::setValue(const long v)
 }
 
 template <>
-inline bool Variant::setValue(const float v)
+inline bool Variant::setValue(float v)
 {
   clear();
 
@@ -187,7 +178,7 @@ inline bool Variant::setValue(const float v)
 }
 
 template <>
-inline bool Variant::setValue(const double v)
+inline bool Variant::setValue(double v)
 {
   clear();
 
@@ -198,7 +189,7 @@ inline bool Variant::setValue(const double v)
 }
 
 template <>
-inline bool Variant::setValue(const std::string string)
+inline bool Variant::setValue(std::string string)
 {
   clear();
 
@@ -226,7 +217,7 @@ inline bool Variant::setValue(void* pointer)
 }
 
 template <>
-inline bool Variant::setValue(const MatrixX& matrix)
+inline bool Variant::setValue(MatrixX matrix)
 {
   clear();
 
@@ -237,19 +228,7 @@ inline bool Variant::setValue(const MatrixX& matrix)
 }
 
 template <>
-inline bool Variant::setValue(const MatrixXf& matrix)
-{
-  clear();
-
-  m_type = Matrix;
-  m_value.matrix = new MatrixX(matrix.rows(), matrix.cols());
-  *m_value.matrix = matrix.cast<double>();
-
-  return true;
-}
-
-template <>
-inline bool Variant::setValue(const Vector3& vector)
+inline bool Variant::setValue(Vector3 vector)
 {
   clear();
 
@@ -260,7 +239,7 @@ inline bool Variant::setValue(const Vector3& vector)
 }
 
 template <>
-inline bool Variant::setValue(const Vector3f& vector)
+inline bool Variant::setValue(Vector3f vector)
 {
   clear();
 
@@ -425,6 +404,15 @@ inline Vector3 Variant::value() const
   return Vector3();
 }
 
+template <>
+inline const Vector3& Variant::value() const
+{
+  if (m_type == Vector)
+    return *m_value.vector;
+
+  return Vector3::Zero();
+}
+
 inline void Variant::clear()
 {
   if (m_type == String) {
@@ -513,14 +501,14 @@ inline MatrixX Variant::toMatrix() const
   return value<MatrixX>();
 }
 
-inline Vector3 Variant::toVector3() const
+inline const MatrixX& Variant::toMatrixRef() const
 {
-  return value<Vector3>();
+  return value<const MatrixX&>();
 }
 
-inline const MatrixX& Variant::toMatrixRef() const
+inline Vector3 Variant::toVector3() const
 {
-  return value<const MatrixX&>();
+  return value<Vector3>();
 }
 
 // --- Operators ----------------------------------------------------------- //

avogadro/core/variant.h

@@ -47,14 +47,14 @@ class AVOGADROCORE_EXPORT Variant
 
   /** Creates a variant to store @p value. */
   template <typename T>
-  Variant(const T value);
-
-  /** Creates a variant to store a 3D vector */
-  Variant(double x, double y, double z);
+  Variant(T value);
 
   /** Creates a new copy of @p variant. */
   inline Variant(const Variant& variant);
 
+  /** Creates a variant to store a 3D vector */
+  Variant(double x, double y, double z);
+
   /** Destroys the variant object. */
   inline ~Variant();
 
@@ -66,7 +66,7 @@ class AVOGADROCORE_EXPORT Variant
 
   /** Sets the value of the variant to @p value. */
   template <typename T>
-  bool setValue(const T value);
+  bool setValue(T value);
 
   /** Sets the value of the variant to a 3D vector */
   bool setValue(double x, double y, double z);
@@ -99,10 +99,10 @@ class AVOGADROCORE_EXPORT Variant
   /** @return the value of the variant as an \c unsigned \c int. */
   inline unsigned int toUInt() const;
 
-  /** @return the value of the variant as a \c long. */
+  /**  @return the value of the variant as a \c long. */
   inline long toLong() const;
 
-  /** @return the value of the variant as an \c unsigned \c long. */
+  /**  @return the value of the variant as an \c unsigned \c long. */
   inline unsigned long toULong() const;
 
   /** @return the value of the variant as a \c float. */

avogadro/quantumio/orca.cpp

@@ -132,10 +132,7 @@ bool ORCAOutput::read(std::istream& in, Core::Molecule& molecule)
 
   molecule.setData("totalCharge", m_charge);
   molecule.setData("totalSpinMultiplicity", m_spin);
-  // at the moment, Variant doesn't want to take Vector3d
-  Core::Variant dipole(m_dipoleMoment.x(), m_dipoleMoment.y(),
-                       m_dipoleMoment.z());
-  molecule.setData("dipoleMoment", dipole);
+  molecule.setData("dipoleMoment", m_dipoleMoment);
 
   return true;
 }